vicriviroc   

GtoPdb Ligand ID: 807

Synonyms: SCH 417690 | SCH-417690 | SCH-D690 | SCH-DS
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 61.8
Molecular weight 533.3
XLogP 3.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COCC(N1CCN(CC1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
Isomeric SMILES COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F
InChI InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24-/m0/s1
InChI Key CNPVJJQCETWNEU-CYFREDJKSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone
International Nonproprietary Names
INN number INN
8647 vicriviroc
Synonyms
SCH 417690 | SCH-417690 | SCH-D690 | SCH-DS
Database Links
BindingDB Ligand 50145685
CAS Registry No. 306296-47-9 (source: Scifinder)
ChEMBL Ligand CHEMBL82301
GtoPdb PubChem SID 135651306
PubChem CID 3009355
Search Google for chemical match using the InChIKey CNPVJJQCETWNEU-CYFREDJKSA-N
Search Google for chemicals with the same backbone CNPVJJQCETWNEU
Search PubMed clinical trials vicriviroc
Search PubMed titles vicriviroc
Search PubMed titles/abstracts vicriviroc
Search UniChem for chemical match using the InChIKey CNPVJJQCETWNEU-CYFREDJKSA-N
Search UniChem for chemicals with the same backbone CNPVJJQCETWNEU
Wikipedia Vicriviroc