General Information of the Compound
| Compound ID |
CP0867058
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| Compound Name |
1-cyclohexylmethyl-3-(3,4-dimethoxyphenyl)-1-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}urea
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| Formula |
C31H43N3O4
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| Molecular Weight |
521.702
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| Canonical SMILES |
COc1ccc(NC(=O)N(CCN2[C@@H]3CC[C@H]2C[C@@H](c2cccc(O)c2)C3)CC2CCCCC2)cc1OC
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| InChI |
InChI=1S/C31H43N3O4/c1-37-29-14-11-25(20-30(29)38-2)32-31(36)33(21-22-7-4-3-5-8-22)15-16-34-26-12-13-27(34)18-24(17-26)23-9-6-10-28(35)19-23/h6,9-11,14,19-20,22,24,26-27,35H,3-5,7-8,12-13,15-18,21H2,1-2H3,(H,32,36)/t24-,26+,27-
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| InChIKey |
QWVFQNLSUSMBOG-ROPJFGRJSA-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