General Information of the Compound
| Compound ID |
CP0517701
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| Compound Name |
(1R,2R)-N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1H-pyrrol-2-yl)benzoyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C23H26N4O2
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| Molecular Weight |
390.487
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| Canonical SMILES |
Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)-c1ccc[nH]1
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| InChI |
InChI=1S/C23H26N4O2/c1-15-21(14-27(2)26-15)25-23(29)19-7-4-3-6-18(19)22(28)17-11-9-16(10-12-17)20-8-5-13-24-20/h5,8-14,18-19,24H,3-4,6-7H2,1-2H3,(H,25,29)/t18-,19-/m1/s1
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| InChIKey |
ADUIVTWDTGQPAI-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