General Information of the Compound
| Compound ID |
CP0848968
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| Compound Name |
2-(cyclopropylamino)-3-(4-(2,4-difluorobenzyl)piperidin-1-yl)pyrido[3,4-b]pyrazine-7-carbonitrile
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| Structure |
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| Formula |
C23H22F2N6
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| Molecular Weight |
420.467
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| Canonical SMILES |
N#Cc1cc2nc(NC3CC3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2cn1
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| InChI |
InChI=1S/C23H22F2N6/c24-16-2-1-15(19(25)10-16)9-14-5-7-31(8-6-14)23-22(28-17-3-4-17)29-20-11-18(12-26)27-13-21(20)30-23/h1-2,10-11,13-14,17H,3-9H2,(H,28,29)
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| InChIKey |
KIBQLULQTUHBJZ-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