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Small molecule Experimental
AACT DrugBank

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Chemistry

Mol. Mass

471.36

ALogP

5.98

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1=C(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1
  • InChIKey: LADJRPDOKVCQCG-NZQKXSOJSA-N
    InChI=1S/C24H21Cl2FN4O/c1-14-22(24(32)30-12-2-3-20(30)15-4-7-17(27)8-5-15)23(31-21(29-14)10-11-28-31)16-6-9-18(25)19(26)13-16/h4-11,13,20,23,29H,2-3,12H2,1H3/t20-,23+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL602070   ChEMBL
bms-394136

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