saquinavir (invirase) Report issue

Small molecule Approved FDA Accelerated Approval FDA Priority Review FDA

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Chemistry

Mol. Mass

670.86

ALogP

3.09

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4
  • InChIKey: QWAXKHKRTORLEM-UGJKXSETSA-N
    InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL114   ChEMBL
saquinavir *

CHEMBL282042   ChEMBL
saquinavir mesylate

L3JE09KZ2F   NCATS
saquinavir *

Saquinavir   Wikipedia

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