General Information of the Compound
| Compound ID |
CP0851299
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| Compound Name |
N-benzyl-3-cyclopentyl-N-{(R)-2-[3-endo-(3-hydroxyphenyl)-8-aza-bicyclo[3.2.1]oct-8-yl]-1-methylethyl}propionamide
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| Formula |
C31H42N2O2
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| Molecular Weight |
474.689
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| Canonical SMILES |
C[C@H](CN1[C@@H]2CC[C@H]1C[C@@H](c1cccc(O)c1)C2)N(Cc1ccccc1)C(=O)CCC1CCCC1
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| InChI |
InChI=1S/C31H42N2O2/c1-23(21-33-28-15-16-29(33)19-27(18-28)26-12-7-13-30(34)20-26)32(22-25-10-3-2-4-11-25)31(35)17-14-24-8-5-6-9-24/h2-4,7,10-13,20,23-24,27-29,34H,5-6,8-9,14-19,21-22H2,1H3/t23-,27-,28+,29-/m1/s1
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| InChIKey |
AWGNCUPRGGSVQC-HYJYBNJOSA-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