General Information of the Compound
| Compound ID |
CP0441041
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| Compound Name |
(1R,2R)-2-[4-(3-acetylphenyl)benzoyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C27H28N2O4
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| Molecular Weight |
444.531
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| Canonical SMILES |
CC(=O)c1cccc(c1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1c(C)noc1C
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| InChI |
InChI=1S/C27H28N2O4/c1-16-25(18(3)33-29-16)28-27(32)24-10-5-4-9-23(24)26(31)20-13-11-19(12-14-20)22-8-6-7-21(15-22)17(2)30/h6-8,11-15,23-24H,4-5,9-10H2,1-3H3,(H,28,32)/t23-,24-/m1/s1
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| InChIKey |
BRAXJSDZMDLTHA-DNQXCXABSA-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