Back

Chemistry

Mol. Mass

696.96

ALogP

8.74

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCCOCCOc1ccc(cc1)c2ccc3N(CC(C)C)CCC\C(=C/c3c2)\C(=O)Nc4ccc(cc4)[S@@+]([O-])Cc5cncn5CCC
  • InChIKey: PNDKCRDVVKJPKG-WHERJAGFSA-N
    InChI=1S/C41H52N4O4S/c1-5-7-22-48-23-24-49-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)50(47)29-37-27-42-30-45(37)20-6-2/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46)/b34-26+/t50-/m0/s1
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2110727   ChEMBL
cenicriviroc *

CHEMBL2105686   ChEMBL
cenicriviroc mesylate

Cenicriviroc   Wikipedia

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue