General Information of the Compound
| Compound ID |
CP0497243
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| Compound Name |
1-{1-[3-(2-Isopropyl-phenoxy)-4-methyl-pentyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C27H37N3O2
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| Molecular Weight |
435.612
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| Canonical SMILES |
CC(C)C(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)Oc1ccccc1C(C)C
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| InChI |
InChI=1S/C27H37N3O2/c1-19(2)22-9-5-8-12-26(22)32-25(20(3)4)15-18-29-16-13-21(14-17-29)30-24-11-7-6-10-23(24)28-27(30)31/h5-12,19-21,25H,13-18H2,1-4H3,(H,28,31)
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| InChIKey |
DCYSPNIVUPHBEY-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