General Information of the Compound
| Compound ID |
CP0534832
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| Compound Name |
(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[4-(3,4-dichloro-N-propanoylanilino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
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| Structure |
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| Formula |
C37H44Cl2N6O6
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| Molecular Weight |
739.701
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| Canonical SMILES |
CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C37H44Cl2N6O6/c1-3-34(48)45(27-11-14-29(38)30(39)21-27)26-15-17-44(18-16-26)37(51)32(20-24-7-5-4-6-8-24)43-33(47)22-41-35(49)23(2)42-36(50)31(40)19-25-9-12-28(46)13-10-25/h4-14,21,23,26,31-32,46H,3,15-20,22,40H2,1-2H3,(H,41,49)(H,42,50)(H,43,47)/t23-,31+,32+/m1/s1
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| InChIKey |
OWUPLLATCGWWNP-MWOZDUBJSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor