General Information of the Compound
| Compound ID |
CP0901796
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| Compound Name |
2-(cyclohexylmethyl-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]-ethyl}carbamoyl)cyclohexanecarboxylic acid
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| Formula |
C30H44N2O4
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| Molecular Weight |
496.692
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| Canonical SMILES |
O=C(O)C1CCCCC1C(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C30H44N2O4/c33-26-10-6-9-22(19-26)23-17-24-13-14-25(18-23)32(24)16-15-31(20-21-7-2-1-3-8-21)29(34)27-11-4-5-12-28(27)30(35)36/h6,9-10,19,21,23-25,27-28,33H,1-5,7-8,11-18,20H2,(H,35,36)/t23-,24+,25-,27?,28?
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| InChIKey |
YGSALZLELDGFDP-JXSFBTLPSA-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: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor