General Information of the Compound
| Compound ID |
CP0858822
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| Compound Name |
cyclopentanecarboxylic acid benzyl-{2-[3-endo-(3-hydroxyphenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]-ethyl}-amide
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| Formula |
C28H36N2O2
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| Molecular Weight |
432.608
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| Canonical SMILES |
O=C(C1CCCC1)N(CCN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)Cc1ccccc1
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| InChI |
InChI=1S/C28H36N2O2/c31-27-12-6-11-23(19-27)24-17-25-13-14-26(18-24)30(25)16-15-29(20-21-7-2-1-3-8-21)28(32)22-9-4-5-10-22/h1-3,6-8,11-12,19,22,24-26,31H,4-5,9-10,13-18,20H2/t24-,25+,26-
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| InChIKey |
LZRXHGWQNQWVCD-OOSCYNTBSA-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