General Information of the Compound
| Compound ID |
CP0458028
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| Compound Name |
1-[1-[3-(5-methoxy-2-methylphenoxy)-4-methylpentyl]piperidin-4-yl]-3-(2H-triazol-4-ylmethyl)benzimidazol-2-one
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| Structure |
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| Formula |
C29H38N6O3
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| Molecular Weight |
518.662
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| Canonical SMILES |
COc1ccc(C)c(OC(CCN2CCC(CC2)n2c3ccccc3n(Cc3cnn[nH]3)c2=O)C(C)C)c1
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| InChI |
InChI=1S/C29H38N6O3/c1-20(2)27(38-28-17-24(37-4)10-9-21(28)3)13-16-33-14-11-23(12-15-33)35-26-8-6-5-7-25(26)34(29(35)36)19-22-18-30-32-31-22/h5-10,17-18,20,23,27H,11-16,19H2,1-4H3,(H,30,31,32)
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| InChIKey |
NHQJUQCJZBZVER-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