General Information of the Compound
| Compound ID |
CP0878894
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| Compound Name |
N-cyclopropyl-3-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-5-methylpyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H25F6N5O2
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| Molecular Weight |
541.496
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| Canonical SMILES |
Cc1nccc2nc(NC3CC3)c(N3CCC(C(F)c4ccc(F)cc4F)CC3)nc12.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N5.C2HF3O2/c1-13-21-19(6-9-27-13)29-22(28-16-3-4-16)23(30-21)31-10-7-14(8-11-31)20(26)17-5-2-15(24)12-18(17)25;3-2(4,5)1(6)7/h2,5-6,9,12,14,16,20H,3-4,7-8,10-11H2,1H3,(H,28,29);(H,6,7)
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| InChIKey |
CKBHYODZPXBWMY-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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Map of Molecular Bioactivity Related to the Compound
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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