General Information of the Compound
| Compound ID |
CP0903298
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| Compound Name |
(S)-2-(cyclopropylamino)-3-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-N,N-dimethylpyrido[3,4-b]pyrazine-7-carboxamide 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C27H28F6N6O3
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| Molecular Weight |
598.548
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| Canonical SMILES |
CN(C)C(=O)c1cc2nc(NC3CC3)c(N3CCC([C@H](F)c4ccc(F)cc4F)CC3)nc2cn1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N6O.C2HF3O2/c1-33(2)25(35)20-12-19-21(13-29-20)32-24(23(31-19)30-16-4-5-16)34-9-7-14(8-10-34)22(28)17-6-3-15(26)11-18(17)27;3-2(4,5)1(6)7/h3,6,11-14,16,22H,4-5,7-10H2,1-2H3,(H,30,31);(H,6,7)/t22-;/m0./s1
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| InChIKey |
ZHVPSAWVFMGIOK-FTBISJDPSA-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