| PDB CCD ID: | 3E7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C28 H24 N2 O3 S |
| InChI: | InChI=1S/C28H24N2O3S/c1-2-25(21-10-4-3-5-11-21)29-28(31)23-15-16-26-22(19-23)17-18-30(26)34(32,33)27-14-8-12-20-9-6-7-13-24(20)27/h3-19,25H,2H2,1H3,(H,29,31)/t25-/m0/s1 |
| InChIKey: | SEVOIRSEDVSYGP-VWLOTQADSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC[C@H](NC(=O)c1ccc2n(ccc2c1)[S](=O)(=O)c3cccc4ccccc34)c5ccccc5 | | OpenEye OEToolkits 1.7.6 | CCC(c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5 | | CACTVS 3.385 | CC[CH](NC(=O)c1ccc2n(ccc2c1)[S](=O)(=O)c3cccc4ccccc34)c5ccccc5 | | OpenEye OEToolkits 1.7.6 | CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5 | | ACDLabs 12.01 | O=S(=O)(c2c1ccccc1ccc2)n4c3ccc(cc3cc4)C(=O)NC(c5ccccc5)CC |
|
| Name: | 1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide |
| ChEMBL: | CHEMBL4466393 |
| ZINC: | ZINC000206021539 |
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