inarigivir Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

703.62

ALogP

0.27

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2O)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
  • InChIKey: CJCYTUJOSMYXLE-JDLSZIHUSA-N
    InChI=1S/C25H34N7O13PS/c1-12(2)42-25(37)40-11-47-46(38,45-19-14(7-33)44-23(20(19)39-3)31-5-4-16(35)30-24(31)36)41-8-15-13(34)6-17(43-15)32-10-29-18-21(26)27-9-28-22(18)32/h4-5,9-10,12-15,17,19-20,23,33-34H,6-8,11H2,1-3H3,(H2,26,27,28)(H,30,35,36)/t13-,14+,15+,17+,19+,20+,23+,46?/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1076930   ChEMBL
inarigivir soproxil

CHEMBL1084430   ChEMBL
inarigivir

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