General Information of the Compound
| Compound ID |
CP0866164
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| Compound Name |
[(cyclohexylmethyl-{2-[3-endo-(3-hydroxyphenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]ethyl}carbamoyl)methanesulfonyl]acetic acid
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| Formula |
C26H38N2O6S
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| Molecular Weight |
506.665
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| Canonical SMILES |
O=C(O)CS(=O)(=O)CC(=O)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)CC1CCCCC1
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| InChI |
InChI=1S/C26H38N2O6S/c29-24-8-4-7-20(15-24)21-13-22-9-10-23(14-21)28(22)12-11-27(16-19-5-2-1-3-6-19)25(30)17-35(33,34)18-26(31)32/h4,7-8,15,19,21-23,29H,1-3,5-6,9-14,16-18H2,(H,31,32)/t21-,22+,23-
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| InChIKey |
RTPXFMYOOGZGJL-NUNAXRQHSA-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