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Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

461.51

ALogP

3.61

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1
  • InChIKey: LQVXSNNAFNGRAH-QHCPKHFHSA-N
    InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL575448   ChEMBL
bms-754807

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