General Information of the Compound
| Compound ID |
CP0902918
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| Compound Name |
N-(5-cyano-2-(4-(2-(difluoromethoxy)benzyl)piperazin-1-yl)pyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H25F2N7O3
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| Molecular Weight |
497.506
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| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccccc2OC(F)F)CC1
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| InChI |
InChI=1S/C24H25F2N7O3/c1-31-15-18(23(30-31)35-2)22(34)29-19-11-16(12-27)13-28-21(19)33-9-7-32(8-10-33)14-17-5-3-4-6-20(17)36-24(25)26/h3-6,11,13,15,24H,7-10,14H2,1-2H3,(H,29,34)
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| InChIKey |
NKWFHFGKQUKSHL-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