General Information of the Compound
Compound ID |
CP0550736
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Compound Name |
US9422293, 81B
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Structure |
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Formula |
C23H25F3N6O
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Molecular Weight |
458.488
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Canonical SMILES |
COc1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N(C)C)cc1
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InChI |
InChI=1S/C23H25F3N6O/c1-31(2)22-29-19-11-14-32(21-18(23(24,25)26)5-4-12-27-21)13-10-17(19)20(30-22)28-15-6-8-16(33-3)9-7-15/h4-9,12H,10-11,13-14H2,1-3H3,(H,28,29,30)
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InChIKey |
DNZPWQBMABBTKK-UHFFFAOYSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound