telaprevir (incivek) Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

679.8493

ALogP

2.45

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C3=NC=CN=C3)C4CCCCC4)C(C)(C)C)C(=O)C(=O)NC5CC5
  • InChIKey: BBAWEDCPNXPBQM-GDEBMMAJSA-N
    1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL231813   ChEMBL
telaprevir

655M5O3W0U   NCATS
telaprevir *

Telaprevir   Wikipedia

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