adagrasib (Krazati) Report issue

Small molecule Orphan Drug FDA Approved FDA Fast Track FDA Breakthrough Therapy FDA Accelerated Approval FDA

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Chemistry

Mol. Mass

604.13

ALogP

4.73

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N
  • InChIKey: PEMUGDMSUDYLHU-ZEQRLZLVSA-N
    InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594350   ChEMBL
adagrasib

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