| PDB CCD ID: | 8O1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H23 N3 O3 S |
| InChI: | InChI=1S/C20H23N3O3S/c1-3-27(25,26)14-6-7-18(22-11-13-4-5-13)16(10-14)17-12-23(2)20(24)19-15(17)8-9-21-19/h6-10,12-13,21-22H,3-5,11H2,1-2H3 |
| InChIKey: | ZQRYCQNBELIIBM-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)NCC4CC4 | | CACTVS 3.385 | CC[S](=O)(=O)c1ccc(NCC2CC2)c(c1)C3=CN(C)C(=O)c4[nH]ccc34 | | ACDLabs 12.01 | c1c(c(ccc1S(CC)(=O)=O)NCC2CC2)C=3c4c(C(N(C=3)C)=O)ncc4 |
|
| Name: | 4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one |
| ChEMBL: | CHEMBL3907558 |
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