General Information of the Compound
| Compound ID |
CP0958176
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| Compound Name |
Cis-rac-3-chloro-N-((1S,3R)-3-(5-(1,4-dimethyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl)cyclohexyl)-N-methylbenzamide
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| Structure |
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| Formula |
C21H25ClN6O
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| Molecular Weight |
412.925
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| Canonical SMILES |
Cc1ncn(C)c1-c1nnc([C@@H]2CCC[C@H](N(C)C(=O)c3cccc(Cl)c3)C2)[nH]1
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| InChI |
InChI=1S/C21H25ClN6O/c1-13-18(27(2)12-23-13)20-24-19(25-26-20)14-6-5-9-17(11-14)28(3)21(29)15-7-4-8-16(22)10-15/h4,7-8,10,12,14,17H,5-6,9,11H2,1-3H3,(H,24,25,26)/t14-,17+/m1/s1
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| InChIKey |
KLHYDNVEAJQGOW-PBHICJAKSA-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