vch-759 Report issue

Small molecule Experimental
AACT PubChem

Back

Chemistry

Mol. Mass

463.58

ALogP

5.58

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)[O-])C2CCC(O)CC2)CC1.[Na+]
  • InChIKey: SSERCMQZZYTNBY-UHFFFAOYSA-M
    InChI=1S/C25H31NO4S.Na/c1-16-7-9-18(10-8-16)24(28)26(19-11-13-20(27)14-12-19)21-15-22(31-23(21)25(29)30)17-5-3-2-4-6-17;/h2-6,15-16,18-20,27H,7-14H2,1H3,(H,29,30);/q;+1/p-1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1673159   ChEMBL
vch-759

CHEMBL1741078   ChEMBL
vch-759

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