API | odalasvir

odalasvir Report issue

Small molecule Experimental

AACT ChEMBL DrugBank PubChem

Back

Chemistry

Mol. Mass

1001.29

ALogP

Rule of 5

Rule of 3

Missing data

Details

SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1c3nc4cc(ccc4[nH]3)c5cc6CCc7ccc(CCc5cc6)cc7c8ccc9[nH]c(nc9c8)[C@@H]%10C[C@@H]%11CCCC[C@@H]%11N%10C(=O)[C@@H](NC(=O)OC)C(C)C
InChIKey: LSYBRGMTRKJATA-IVEWBXRVSA-N
InChI=1S/C60H72N8O6/c1-33(2)53(65-59(71)73-5)57(69)67-49-13-9-7-11-41(49)31-51(67)55-61-45-25-23-39(29-47(45)63-55)43-27-35-15-19-37(43)21-17-36-16-20-38(22-18-35)44(28-36)40-24-26-46-48(30-40)64-56(62-46)52-32-42-12-8-10-14-50(42)68(52)58(70)54(34(3)4)66-60(72)74-6/h15-16,19-20,23-30,33-34,41-42,49-54H,7-14,17-18,21-22,31-32H2,1-6H3,(H,61,63)(H,62,64)(H,65,71)(H,66,72)/t41-,42-,49-,50-,51-,52-,53-,54-/m0/s1
Chirality: Single Stereoisomer
Inorganic: No
Polymer: No

Sources

CHEMBL3544977 ChEMBL
odalasvir

Odalasvir Wikipedia

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