General Information of the Compound
| Compound ID |
CP0377805
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| Compound Name |
[1-[4-[2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
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| Structure |
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| Formula |
C34H47N5O
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| Molecular Weight |
541.784
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| Canonical SMILES |
OCC1(CCCCCCC1)N1CCC(CC1)n1c(nc2ccccc12)N1CC2CN(Cc3ccccc3)CC2C1
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| InChI |
InChI=1S/C34H47N5O/c40-26-34(17-9-2-1-3-10-18-34)38-19-15-30(16-20-38)39-32-14-8-7-13-31(32)35-33(39)37-24-28-22-36(23-29(28)25-37)21-27-11-5-4-6-12-27/h4-8,11-14,28-30,40H,1-3,9-10,15-26H2
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| InChIKey |
ISIVFOIKEDCWTH-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