General Information of the Compound
| Compound ID |
CP0529545
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| Compound Name |
(1S,2S)-N-(1,3-dimethylpyrazol-4-yl)-2-[4-(1H-pyrazol-5-yl)benzoyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
Cc1nn(C)cc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)c1ccc(cc1)-c1cc[nH]n1
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| InChI |
InChI=1S/C22H25N5O2/c1-14-20(13-27(2)26-14)24-22(29)18-6-4-3-5-17(18)21(28)16-9-7-15(8-10-16)19-11-12-23-25-19/h7-13,17-18H,3-6H2,1-2H3,(H,23,25)(H,24,29)/t17-,18-/m0/s1
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| InChIKey |
BQHSTPGWZQFYTH-ROUUACIJSA-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