General Information of the Compound
| Compound ID |
CP0356624
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| Compound Name |
4-[[(1R,2R)-2-[2-fluoro-4-(5-methyl-1H-pyrazol-3-yl)benzoyl]cyclohexanecarbonyl]amino]-1-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H25FN6O3
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| Molecular Weight |
452.49
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| Canonical SMILES |
Cc1cc([nH]n1)-c1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)Nc2cn(C)nc2C(N)=O)c(F)c1
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| InChI |
InChI=1S/C23H25FN6O3/c1-12-9-18(28-27-12)13-7-8-16(17(24)10-13)21(31)14-5-3-4-6-15(14)23(33)26-19-11-30(2)29-20(19)22(25)32/h7-11,14-15H,3-6H2,1-2H3,(H2,25,32)(H,26,33)(H,27,28)/t14-,15-/m1/s1
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| InChIKey |
MGNZSIKQOCJNLD-HUUCEWRRSA-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