General Information of the Compound
| Compound ID |
CP0880956
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| Compound Name |
2-(4-(2,4-difluorobenzyl)piperidin-1-yl)-N-(2,2-difluoroethyl)pyrido[3,4-b]pyrazin-3-amine
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| Structure |
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| Formula |
C21H21F4N5
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| Molecular Weight |
419.426
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| Canonical SMILES |
Fc1ccc(CC2CCN(c3nc4ccncc4nc3NCC(F)F)CC2)c(F)c1
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| InChI |
InChI=1S/C21H21F4N5/c22-15-2-1-14(16(23)10-15)9-13-4-7-30(8-5-13)21-20(27-12-19(24)25)28-18-11-26-6-3-17(18)29-21/h1-3,6,10-11,13,19H,4-5,7-9,12H2,(H,27,28)
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| InChIKey |
GYECBCFRORYZQZ-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