General Information of the Compound
| Compound ID |
CP0968683
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| Compound Name |
N-(2-(4-(2,4-difluorobenzyl)piperazin-1-yl)-5-(methoxymethyl)pyridin-3-yl)-2-methoxynicotinamide
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| Structure |
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| Formula |
C25H27F2N5O3
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| Molecular Weight |
483.519
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| Canonical SMILES |
COCc1cnc(N2CCN(Cc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)c1
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| InChI |
InChI=1S/C25H27F2N5O3/c1-34-16-17-12-22(30-24(33)20-4-3-7-28-25(20)35-2)23(29-14-17)32-10-8-31(9-11-32)15-18-5-6-19(26)13-21(18)27/h3-7,12-14H,8-11,15-16H2,1-2H3,(H,30,33)
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| InChIKey |
SISVQKZORNKNSC-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