| PDB CCD ID: | FRY |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C18 H15 Cl N4 O3 S |
| InChI: | InChI=1S/C18H15ClN4O3S/c19-14-7-10-6-11(22-17(10)27-14)16(25)21-12-5-9-3-1-2-4-13(9)23(18(12)26)8-15(20)24/h1-4,6-7,12,14H,5,8H2,(H2,20,24)(H,21,25)/t12-,14+/m0/s1 |
| InChIKey: | ACSGSLPOHKRZCY-GXTWGEPZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | NC(=O)CN1C(=O)[CH](Cc2ccccc12)NC(=O)C3=CC4=C[CH](Cl)SC4=N3 | | ACDLabs 10.04 | ClC2SC1=NC(=CC1=C2)C(=O)NC4C(=O)N(c3ccccc3C4)CC(=O)N | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl | | OpenEye OEToolkits 1.5.0 | c1ccc2c(c1)CC(C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl | | CACTVS 3.341 | NC(=O)CN1C(=O)[C@H](Cc2ccccc12)NC(=O)C3=CC4=C[C@H](Cl)SC4=N3 |
|
| Name: | (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE |
| DrugBank: | DB07793 |
| ZINC: | ZINC000053683214 |
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