General Information of the Compound
| Compound ID |
CP0149564
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| Compound Name |
(1R,2R)-N-(6-methoxypyrimidin-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C22H23N5O3
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| Molecular Weight |
405.458
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| Canonical SMILES |
COc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(cc2)-c2cc[nH]n2)ncn1
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| InChI |
InChI=1S/C22H23N5O3/c1-30-20-12-19(23-13-24-20)26-22(29)17-5-3-2-4-16(17)21(28)15-8-6-14(7-9-15)18-10-11-25-27-18/h6-13,16-17H,2-5H2,1H3,(H,25,27)(H,23,24,26,29)/t16-,17-/m1/s1
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| InChIKey |
ZCKDKPTYMNQCOH-IAGOWNOFSA-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