naquotinib Report issue

Small molecule Experimental
AACT DrugBank PubChem

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Chemistry

Mol. Mass

562.72

ALogP

2.26

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C=CC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1
  • InChIKey: QKDCLUARMDUUKN-XMMPIXPASA-N
    InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3663929   ChEMBL
naquotinib *

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