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Small molecule Experimental

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Chemistry

Mol. Mass

320.32

ALogP

2.82

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: N#Cc1ccc(N2C[C@H](N)C[C@H](C(F)(F)F)C2)c2cccnc12
  • InChIKey: BJXYHBKEQFQVES-NWDGAFQWSA-N
    InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4802159   ChEMBL
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