General Information of the Compound
| Compound ID |
CP0437953
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| Compound Name |
2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3-methylpiperidin-1-yl]propanoyl]amino]acetic acid
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| Structure |
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| Formula |
C24H30N2O4
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| Molecular Weight |
410.514
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| Canonical SMILES |
C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(O)=O)CC[C@H]1c1cccc(O)c1
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| InChI |
InChI=1S/C24H30N2O4/c1-17-15-26(11-10-22(17)19-8-5-9-21(27)13-19)16-20(24(30)25-14-23(28)29)12-18-6-3-2-4-7-18/h2-9,13,17,20,22,27H,10-12,14-16H2,1H3,(H,25,30)(H,28,29)/t17-,20-,22+/m0/s1
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| InChIKey |
HJEPXWAYRWYSJS-RBDMOPTHSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT01188, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor