General Information of the Compound
| Compound ID |
CP0376883
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| Compound Name |
methyl 1-[4-[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctane-1-carboxylate
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| Structure |
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| Formula |
C27H41N5O2
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| Molecular Weight |
467.658
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| Canonical SMILES |
COC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CCN(C)CC1
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| InChI |
InChI=1S/C27H41N5O2/c1-29-18-20-30(21-19-29)26-28-23-10-6-7-11-24(23)32(26)22-12-16-31(17-13-22)27(25(33)34-2)14-8-4-3-5-9-15-27/h6-7,10-11,22H,3-5,8-9,12-21H2,1-2H3
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| InChIKey |
JEJYQYUPGBHILH-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor