General Information of the Compound
| Compound ID |
CP0497038
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| Compound Name |
1-{1-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxy-4-phenyl-butyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C29H32ClN3O3
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| Molecular Weight |
506.046
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| Canonical SMILES |
Cc1ccc(Cl)c(OC(Cc2ccccc2)C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c1
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| InChI |
InChI=1S/C29H32ClN3O3/c1-20-11-12-23(30)27(17-20)36-28(18-21-7-3-2-4-8-21)26(34)19-32-15-13-22(14-16-32)33-25-10-6-5-9-24(25)31-29(33)35/h2-12,17,22,26,28,34H,13-16,18-19H2,1H3,(H,31,35)
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| InChIKey |
FBQUGLKXRXJVGZ-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
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor