General Information of the Compound
| Compound ID |
CP0938773
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| Compound Name |
N-(5-cyano-2-(4-(4-methoxybenzyl)piperazin-1-yl)pyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H27N7O3
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| Molecular Weight |
461.526
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| Canonical SMILES |
COc1ccc(CN2CCN(c3ncc(C#N)cc3NC(=O)c3cn(C)nc3OC)CC2)cc1
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| InChI |
InChI=1S/C24H27N7O3/c1-29-16-20(24(28-29)34-3)23(32)27-21-12-18(13-25)14-26-22(21)31-10-8-30(9-11-31)15-17-4-6-19(33-2)7-5-17/h4-7,12,14,16H,8-11,15H2,1-3H3,(H,27,32)
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| InChIKey |
PGJDVRVVVYLVPB-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