General Information of the Compound
| Compound ID |
CP0438857
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| Compound Name |
(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-pyrazol-5-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 |
Cc1c[nH]nc1-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cn(C)nc1C
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| InChI |
InChI=1S/C23H27N5O2/c1-14-12-24-26-21(14)16-8-10-17(11-9-16)22(29)18-6-4-5-7-19(18)23(30)25-20-13-28(3)27-15(20)2/h8-13,18-19H,4-7H2,1-3H3,(H,24,26)(H,25,30)/t18-,19-/m1/s1
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| InChIKey |
IGJJDKBGIMYHRI-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