General Information of the Compound
| Compound ID |
CP0550625
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| Compound Name |
N-[[(3S)-4,4-difluoropiperidin-3-yl]methyl]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
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| Structure |
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| Formula |
C17H19F2N7
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| Molecular Weight |
359.384
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| Canonical SMILES |
Cn1cc(cn1)-c1cc2nccnc2c(NC[C@@H]2CNCCC2(F)F)n1
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| InChI |
InChI=1S/C17H19F2N7/c1-26-10-11(7-24-26)13-6-14-15(22-5-4-21-14)16(25-13)23-9-12-8-20-3-2-17(12,18)19/h4-7,10,12,20H,2-3,8-9H2,1H3,(H,23,25)/t12-/m0/s1
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| InChIKey |
KNGBPOUPNSUJPG-LBPRGKRZSA-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