General Information of the Compound
| Compound ID |
CP0441040
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| Compound Name |
(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[4-(2-methylpyrazol-3-yl)benzoyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C23H27N5O2
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| Molecular Weight |
405.502
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| Canonical SMILES |
Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1ccnn1C
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| InChI |
InChI=1S/C23H27N5O2/c1-15-20(14-27(2)26-15)25-23(30)19-7-5-4-6-18(19)22(29)17-10-8-16(9-11-17)21-12-13-24-28(21)3/h8-14,18-19H,4-7H2,1-3H3,(H,25,30)/t18-,19-/m1/s1
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| InChIKey |
JPPKKFQSQYJQRN-RTBURBONSA-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