General Information of the Compound
| Compound ID |
CP0506050
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| Compound Name |
(S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-((R)-1-oxo-1-((S)-1-oxo-3-phenyl-1-(4-(N-phenylpropionamido)piperidin-1-yl)propan-2-ylamino)propan-2-yl)propanamide
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| Structure |
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| Formula |
C37H47N5O5
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| Molecular Weight |
641.813
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
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| InChI |
InChI=1S/C37H47N5O5/c1-5-34(44)42(28-14-10-7-11-15-28)29-16-18-41(19-17-29)37(47)33(22-27-12-8-6-9-13-27)40-35(45)26(4)39-36(46)32(38)23-31-24(2)20-30(43)21-25(31)3/h6-15,20-21,26,29,32-33,43H,5,16-19,22-23,38H2,1-4H3,(H,39,46)(H,40,45)/t26-,32+,33+/m1/s1
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| InChIKey |
XYWSGXJRLJYNDA-DJDPXSJISA-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: PT01549, Mu-type opioid receptor