msc2363318a Report issue

Small molecule Experimental
AACT ChEMBL

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Chemistry

Mol. Mass

449.86

ALogP

4.26

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12
  • InChIKey: HXAUJHZZPCBFPN-QGZVFWFLSA-N
    InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545003   ChEMBL
msc-2363318a

CHEMBL4871106   ChEMBL
msc-2363318a

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