General Information of the Compound
| Compound ID |
CP0377808
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| Compound Name |
(1-{4-[2-(3-Methylpiperazin-1-yl)-1H-benzimidazol-1-yl]piperidin-1-yl}cyclooctyl)methanol
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| Structure |
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| Formula |
C26H41N5O
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| Molecular Weight |
439.648
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| Canonical SMILES |
CC1CN(CCN1)c1nc2ccccc2n1C1CCN(CC1)C1(CO)CCCCCCC1
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| InChI |
InChI=1S/C26H41N5O/c1-21-19-29(18-15-27-21)25-28-23-9-5-6-10-24(23)31(25)22-11-16-30(17-12-22)26(20-32)13-7-3-2-4-8-14-26/h5-6,9-10,21-22,27,32H,2-4,7-8,11-20H2,1H3
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| InChIKey |
ZFBVHBCZNNALTI-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