General Information of the Compound
| Compound ID |
CP0266403
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| Compound Name |
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[2-oxo-2-[[(2S)-1-oxo-1-[[2-oxo-2-[[2-oxo-2-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)ethyl]amino]ethyl]amino]-3-phenylpropan-2-yl]amino]ethyl]amino]propan-2-yl]propanamide
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| Structure |
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| Formula |
C46H56N8O7
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| Molecular Weight |
833.003
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| Canonical SMILES |
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C46H56N8O7/c1-32(51-45(60)39(47)27-35-17-19-38(55)20-18-35)44(59)49-30-42(57)52-40(28-34-13-7-3-8-14-34)46(61)50-29-41(56)48-31-43(58)54(36-15-9-4-10-16-36)37-22-25-53(26-23-37)24-21-33-11-5-2-6-12-33/h2-20,32,37,39-40,55H,21-31,47H2,1H3,(H,48,56)(H,49,59)(H,50,61)(H,51,60)(H,52,57)/t32-,39+,40+/m1/s1
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| InChIKey |
ZXXWQHJJTYRVST-JURIQKAMSA-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