General Information of the Compound
| Compound ID |
CP0437453
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| Compound Name |
(R)-2-[(R)-2-(2-{(S)-2-[(R)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-2-methyl-propionylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C30H41N5O8
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| Molecular Weight |
599.685
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@](C)(CO)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
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| InChI |
InChI=1S/C30H41N5O8/c1-18(2)13-24(28(41)42)34-27(40)23(15-19-7-5-4-6-8-19)33-25(38)16-32-29(43)30(3,17-36)35-26(39)22(31)14-20-9-11-21(37)12-10-20/h4-12,18,22-24,36-37H,13-17,31H2,1-3H3,(H,32,43)(H,33,38)(H,34,40)(H,35,39)(H,41,42)/t22-,23-,24-,30+/m1/s1
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| InChIKey |
YQDDALASDIGIHO-KJMNMTOCSA-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