| Catalog Number | ACM186392654 |
| CAS | 186392-65-4 |
| IUPAC Name | 5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide |
| Synonyms | Ingliforib;186392-65-4;UNII-UII7156WLU;UII7156WLU;CP-368,296;(R-(R*,S*-(cis)))-5-Chloro-N-(3-(3,4-dihydroxy-1-pyrrolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-1H-indole-2-carboxamide;Ingliforib [USAN:INN];CP-296;CP-368;Ingliforib (USAN/INN);DSSTox_CID_27252;DSSTox_RID_82211;DSSTox_GSID_47252;SCHEMBL122709;CHEMBL2104888;DTXSID4047252;CHEBI:167777;cp368296;AMY16882;EX-A3828;Tox21_300206;NCGC00247928-01;NCGC00253929-01;5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide;AC-31583;HY-19396;CAS-186392-65-4;CS-0015497;D04537;Q27291096;(R-(R*,S*-(cis)))-5-chloro- N-(3-(3,4-dihydroxy-1-pyrrolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-1H-indole-2-carboxamide;1H-Indole-2-carboxamide, 5-chloro-N-((1S,2R)-3-((3R,4S)-3,4-dihydroxy-1-pyrrolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-;5-Chloro-N-((1S,2R)-3-((3R,4S)-3,4-dihydroxy-1-pyrrolidinyl))-2-hydroxy-3-oxo-1-(phenylmethyl)propyl-1H-indole-2-carboxamide;5-chloro-N-[(2S,3R)-4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide |
| Molecular Weight | 457.9g/mol |
| Molecular Formula | C23H24ClN3O5 |
| Canonical SMILES | C1C(C(CN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)O)O)O |
| InChI | InChI=1S/C23H24ClN3O5/c24-15-6-7-16-14(9-15)10-18(25-16)22(31)26-17(8-13-4-2-1-3-5-13)21(30)23(32)27-11-19(28)20(29)12-27/h1-7,9-10,17,19-21,25,28-30H,8,11-12H2,(H,26,31)/t17-,19-,20+,21+/m0/s1 |
| InChI Key | GVDRRZOORHCTAN-MJUUVYJYSA-N |
| Complexity | 666 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 457.1404486g/mol |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Monoisotopic Mass | 457.1404486g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 126Ų |
| UNII | UII7156WLU |
| X Log P3 | 1.7 |