General Information of the Compound
| Compound ID |
CP0457351
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| Compound Name |
(2S)-2-amino-1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propan-1-one
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| Structure |
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| Formula |
C30H37N3O2
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| Molecular Weight |
471.645
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCC(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C30H37N3O2/c1-22-19-26(34)20-23(2)28(22)21-29(31)30(35)33-17-15-32(16-18-33)14-13-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,19-20,27,29,34H,13-18,21,31H2,1-2H3/t29-/m0/s1
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| InChIKey |
NSDOLJZXPOIJLJ-LJAQVGFWSA-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: PT01526, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor