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Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

634.37

ALogP

4.72

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)C[C@H](C)N1.Cl.Cl
  • InChIKey: IERUINQRGJAECT-ISUJJMBGSA-N
    InChI=1S/C26H27Cl2FN6O3.2ClH/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28;;/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36);2*1H/t13-,14+,15-;;/m1../s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3544934   ChEMBL
x-396

CHEMBL4297219   ChEMBL
ensartinib hydrochloride

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