General Information of the Compound
| Compound ID |
CP0375261
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| Compound Name |
(R)-2-[(R)-2-(2-{2-[(R)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2-methyl-propionylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C30H41N5O7
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| Molecular Weight |
583.686
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
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| InChI |
InChI=1S/C30H41N5O7/c1-18(2)14-24(28(40)41)34-27(39)23(16-19-8-6-5-7-9-19)33-25(37)17-32-29(42)30(3,4)35-26(38)22(31)15-20-10-12-21(36)13-11-20/h5-13,18,22-24,36H,14-17,31H2,1-4H3,(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t22-,23-,24-/m0/s1
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| InChIKey |
NTZRMRSXUCHMMO-HJOGWXRNSA-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: PT01460, Kappa-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor