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Chemistry

Mol. Mass

882.0171

ALogP

8.12

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC4=C(C=C3)N5[C@@H](OC6=C(C=CC(=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@@H](NC(=O)OC)C(C)C)C5=C4)C9=CC=CC=C9
  • InChIKey: BVAZQCUMNICBAQ-PZHYSIFUSA-N
    1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3039514   ChEMBL
elbasvir

632L571YDK   NCATS
elbasvir *

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