FR7

?

Summary

Name:1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE
Synonyms:FR239087
Formula:C15 H17 Cl2 N3 O2
Formal charge:0
Molecular weight:342.22 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-{(1R,2S)-1-[2-(2,3-dichlorophenyl)ethyl]-2-hydroxypropyl}-1H-imidazole-4-carboxamide
OpenEye OEToolkits1.5.01-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxy-pentan-3-yl]imidazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cccc(c1Cl)CCC(n2cc(nc2)C(=O)N)C(O)C
SMILES_CANONICALCACTVS3.341C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n2cnc(c2)C(N)=O
SMILESCACTVS3.341C[CH](O)[CH](CCc1cccc(Cl)c1Cl)n2cnc(c2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O
SMILESOpenEye OEToolkits1.5.0CC(C(CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O
InChIInChI1.03InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1
InChIKeyInChI1.03HCJYSIGJDKNVRU-TVQRCGJNSA-N
169117
PDB entries from 2020-09-23