General Information of the Compound
| Compound ID |
CP0379924
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| Compound Name |
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-[4-(3-phenylpropyl)piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C24H33N3O2
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| Molecular Weight |
395.547
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2ccccc2)CC1
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| InChI |
InChI=1S/C24H33N3O2/c1-18-15-21(28)16-19(2)22(18)17-23(25)24(29)27-13-11-26(12-14-27)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-16,23,28H,6,9-14,17,25H2,1-2H3/t23-/m0/s1
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| InChIKey |
DEPLIXINVXNOOD-QHCPKHFHSA-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