General Information of the Compound
| Compound ID |
CP0500257
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| Compound Name |
2-(3-(1-(3,3-dimethylbutyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
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| Structure |
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| Formula |
C21H32N4O2
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| Molecular Weight |
372.513
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| Canonical SMILES |
CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(C)(C)C)CC2)c1=O
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| InChI |
InChI=1S/C21H32N4O2/c1-21(2,3)11-14-23-12-9-16(10-13-23)25-18-8-6-5-7-17(18)24(20(25)27)15-19(26)22-4/h5-8,16H,9-15H2,1-4H3,(H,22,26)
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| InChIKey |
DOGYUXXGMZAOPV-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