General Information of the Compound
| Compound ID |
CP0895917
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| Compound Name |
1-[(cyclohexylmethyl-{2-[3-endo-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}carbamoyl)methyl]cyclohexyl-acetic acid
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| Formula |
C32H48N2O4
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| Molecular Weight |
524.746
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| Canonical SMILES |
O=C(O)CC1(CC(=O)N(CCN2[C@@H]3CC[C@H]2C[C@@H](c2cccc(O)c2)C3)CC2CCCCC2)CCCCC1
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| InChI |
InChI=1S/C32H48N2O4/c35-29-11-7-10-25(20-29)26-18-27-12-13-28(19-26)34(27)17-16-33(23-24-8-3-1-4-9-24)30(36)21-32(22-31(37)38)14-5-2-6-15-32/h7,10-11,20,24,26-28,35H,1-6,8-9,12-19,21-23H2,(H,37,38)/t26-,27+,28-
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| InChIKey |
XROAZIXSPVZOTL-OUOZDZGXSA-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