General Information of the Compound
| Compound ID |
CP0499031
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| Compound Name |
1-(1-{2-[1-(2-Chloro-5-methyl-phenoxy)-cyclohexyl]-ethyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C27H34ClN3O2
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| Molecular Weight |
468.041
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| Canonical SMILES |
Cc1ccc(Cl)c(OC2(CCN3CCC(CC3)n3c4ccccc4[nH]c3=O)CCCCC2)c1
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| InChI |
InChI=1S/C27H34ClN3O2/c1-20-9-10-22(28)25(19-20)33-27(13-5-2-6-14-27)15-18-30-16-11-21(12-17-30)31-24-8-4-3-7-23(24)29-26(31)32/h3-4,7-10,19,21H,2,5-6,11-18H2,1H3,(H,29,32)
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| InChIKey |
MKACZIXYZBAILC-UHFFFAOYSA-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