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Small molecule Experimental
AACT ChEMBL PubChem

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Chemistry

Mol. Mass

313.79

ALogP

2.92

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
  • InChIKey: IIRWNGPLJQXWFJ-KRWDZBQOSA-N
    InChI=1S/C17H16ClN3O/c18-16-7-5-15(6-8-16)17(22,11-19)14-3-1-12(2-4-14)13-9-20-21-10-13/h1-10,22H,11,19H2,(H,20,21)/t17-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3544960   ChEMBL
at-13148

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