General Information of the Compound
Compound ID |
CP0848979
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Compound Name |
3-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-N-isopropylpyrido[3,4-b]pyrazin-3-amine 2,2,2-trifluoroacetate
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Structure |
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Formula |
C24H25F6N5O2
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Molecular Weight |
529.485
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Canonical SMILES |
CC(C)Nc1nc2cnccc2nc1N1CCC(C(F)c2ccc(F)cc2F)CC1.O=C(O)C(F)(F)F
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InChI |
InChI=1S/C22H24F3N5.C2HF3O2/c1-13(2)27-21-22(29-18-5-8-26-12-19(18)28-21)30-9-6-14(7-10-30)20(25)16-4-3-15(23)11-17(16)24;3-2(4,5)1(6)7/h3-5,8,11-14,20H,6-7,9-10H2,1-2H3,(H,27,28);(H,6,7)
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InChIKey |
CPIKVJAYXCISOW-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