yimitasvir Report issue

Small molecule Experimental

Back

Chemistry

Mol. Mass

855.05

ALogP

8.74

Rule of 5

No

Rule of 3

No
Details
  • SMILES: COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)c4c3[C@@H]3CC[C@H]4C3)cc2)[nH]1)C(C)C
  • InChIKey: CMLNPOWEANUBIB-XIGHHNHFSA-N
    InChI=1S/C49H58N8O6/c1-26(2)42(54-48(60)62-5)46(58)56-21-7-9-38(56)44-50-25-37(53-44)29-13-11-28(12-14-29)33-18-19-34(41-32-16-15-31(23-32)40(33)41)30-17-20-35-36(24-30)52-45(51-35)39-10-8-22-57(39)47(59)43(27(3)4)55-49(61)63-6/h11-14,17-20,24-27,31-32,38-39,42-43H,7-10,15-16,21-23H2,1-6H3,(H,50,53)(H,51,52)(H,54,60)(H,55,61)/t31-,32+,38+,39+,42+,43+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5095203   ChEMBL
yimitasvir

CHEMBL5095204   ChEMBL
yimitasvir phosphate

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