General Information of the Compound
| Compound ID |
CP0961952
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| Compound Name |
Cis-3-chloro-N-methyl-N-((1R,3S)-3-(5-(4-methyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl)cyclohexyl)benzamide
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| Formula |
C20H23ClN6O
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| Molecular Weight |
398.898
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| Canonical SMILES |
Cc1nc[nH]c1-c1nnc([C@H]2CCC[C@@H](N(C)C(=O)c3cccc(Cl)c3)C2)[nH]1
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| InChI |
InChI=1S/C20H23ClN6O/c1-12-17(23-11-22-12)19-24-18(25-26-19)13-5-4-8-16(10-13)27(2)20(28)14-6-3-7-15(21)9-14/h3,6-7,9,11,13,16H,4-5,8,10H2,1-2H3,(H,22,23)(H,24,25,26)/t13-,16+/m0/s1
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| InChIKey |
DRNYEFOVJBNMRE-XJKSGUPXSA-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