velpatasvir (Epclusa) Report issue

Small molecule Approved FDA Fast Track FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central MeSH PubChem

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Chemistry

Mol. Mass

883.0019

ALogP

7.73

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)C2=CC=CC=C2)C3=NC=C(N3)C4=CC5=C(C=C4)C6=CC7=C(C=C6OC5)C8=C(C=C7)N=C(N8)[C@@H]9CC[C@H](C)N9C(=O)[C@@H](NC(=O)OC)C(C)C
  • InChIKey: FHCUMDQMBHQXKK-CDIODLITSA-N
    1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545062   ChEMBL
velpatasvir

KCU0C7RS7Z   NCATS
velpatasvir *

Velpatasvir   Wikipedia

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