General Information of the Compound
| Compound ID |
CP0867673
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| Compound Name |
2-(cyclopropylamino)-3-(4-(2-fluoro-4-methoxybenzyl)piperazin-1-yl)pyrido[3,4-b]pyrazine-5-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H25F4N7O3
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| Molecular Weight |
547.513
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| Canonical SMILES |
COc1ccc(CN2CCN(c3nc4c(C#N)nccc4nc3NC3CC3)CC2)c(F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H24FN7O.C2HF3O2/c1-32-17-5-2-15(18(24)12-17)14-30-8-10-31(11-9-30)23-22(27-16-3-4-16)28-19-6-7-26-20(13-25)21(19)29-23;3-2(4,5)1(6)7/h2,5-7,12,16H,3-4,8-11,14H2,1H3,(H,27,28);(H,6,7)
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| InChIKey |
KZADNPUBTKPGGT-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