General Information of the Compound
| Compound ID |
CP0441026
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| Compound Name |
(S)-2-Amino-N-{[(S)-1-((R)-1-carbamoyl-2-naphthalen-2-yl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-methyl-propionamide
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| Synonyms |
BDBM50232770
CHEMBL254927
Dmt-Sar-Phe-D-2-Nal-NH
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| Structure |
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| Formula |
C36H41N5O5
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| Molecular Weight |
623.754
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| Canonical SMILES |
CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
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| InChI |
InChI=1S/C36H41N5O5/c1-22-15-28(42)16-23(2)29(22)20-30(37)36(46)41(3)21-33(43)39-32(18-24-9-5-4-6-10-24)35(45)40-31(34(38)44)19-25-13-14-26-11-7-8-12-27(26)17-25/h4-17,30-32,42H,18-21,37H2,1-3H3,(H2,38,44)(H,39,43)(H,40,45)/t30-,31+,32-/m0/s1
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| InChIKey |
LCSGBFCHAFMKLD-QAXCHELISA-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: PT01515, Mu-type opioid receptor
Clinical Information about the Compound