Molecule FYI-1005053

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A

Molecule Summary:

ID: FYI-1005053
Names:
InChIKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N
SMILES: Oc1ccc(Cl)cc1

Received at FYIcenter.com on: 2023-10-11

Molecule ID: FYI-1005053 Edit

Molecule Structure InChIKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc1ccc(Cl)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005053
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005053-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -3.0707    0.0000    0.0005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8008    0.0000    0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4398    0.0001   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7424    1.2080   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -1.2080   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525    1.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6525   -1.2080   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499   -0.0001    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802    2.1522   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2741   -2.1558   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827    2.1568    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1827   -2.1568    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1158   -0.9202    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 2053👍, 0💬

Molecule FYI-1005054
Molecule Summary: ID: FYI-1005054 Names: InChIKey: RDTPEKJRDKJWBN-QBWUJNPXSA-O SMILES: CCO[C@H]6CC[C@@]5(C)C(=CC[C@H] 4[C@@H]3CC[C@]2(O[C@@H]1C[C@H] (C)C[NH2+][C@H]1[C@H]2C)C(C)=C 3C[C@@H]45)C6Received at FYIcenter.com on: 2023-10-11 2023-10-27, 2990🔥, 0💬

Molecule FYI-1005055
Molecule Summary: ID: FYI-1005055 Names: InChIKey: VWWQXMAJTJZDQX-UYBVJOGSSA-N SMILES: Cc6cc5nc1c(=O)[nH]c(=O)nc1n(C[ C@H](O)[C@H](O)[C@H](O)COP(=O) (O)OP(=O)(O)OC[C@H]4O[C@@H](n3 cnc2c(N)ncnc23)[C@H](O)[C@@H]4 O)c5cc6CReceived at FYIcenter.com on: 2023-10-11 2023-10-27, 2970🔥, 0💬

Molecule FYI-1005057
Molecule Summary: ID: FYI-1005057 Names: InChIKey: WWOCUKUEGRWXGZ-UHFFFAOYSA-N SMILES: O=C(O)C3CNCCN(CCN2CCN(c1ccccc1 )CC2)C3Received at FYIcenter.com on: 2023-10-11 2023-10-27, 2879🔥, 0💬

Molecule FYI-1005049
Molecule Summary: ID: FYI-1005049 Names: InChIKey: PIMQWRZWLQKKBJ-UHFFFAOYSA-N SMILES: CCc3cnn4c(NCc1cccn(=O)c1)cc(N2 CCCCC2CCO)nc34Received at FYIcenter.com on: 2023-10-11 2023-10-27, 2202🔥, 0💬

Molecule FYI-1005052
Molecule Summary: ID: FYI-1005052 Names: InChIKey: UZWDCWONPYILKI-UHFFFAOYSA-N SMILES: CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc (F)c1nc(C)n(C(C)C)c1c2)n3)nc4) CC5Received at FYIcenter.com on: 2023-10-11 2023-10-27, 2085🔥, 0💬

Molecule FYI-1005053
Molecule Summary: ID: FYI-1005053 Names: InChIKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N SMILES: Oc1ccc(Cl)cc1 Received at FYIcenter.com on: 2023-10-11 2023-10-27, 2055🔥, 0💬

Molecule FYI-1005051
Molecule Summary: ID: FYI-1005051 Names: InChIKey: BIIVYFLTOXDAOV-RGUGMKFQSA-N SMILES: CN4CCC(c2c(O)cc(O)c3c(=O)cc(c1 ccccc1Cl)oc23)[C@H](O)C4Received at FYIcenter.com on: 2023-10-11 2023-10-27, 1813🔥, 0💬

Molecule FYI-1005048
Molecule Summary: ID: FYI-1005048 Names: InChIKey: SOYWOKSOKVRZRZ-UHFFFAOYSA-N SMILES: COc1cc(O)ccc1C Received at FYIcenter.com on: 2023-10-11 2023-10-27, 1795🔥, 0💬

indigo.convert() - Convert Structure Formats
How to convert file formats of a given structure with the indigo.convert() method? If you want to convert a chemical structure from one file format to another, you can use the indigo.convert() method on the Ketcher Indigo interface. The indigo.convert(input, opts) method takes two arguments: input -... 2023-10-12, 1611🔥, 0💬

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