General Information of the Compound
Compound ID |
CP0146697
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Compound Name |
(S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide
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Synonyms |
2SEC01B703
77614-16-5
AC1NUNYZ
CHEMBL278789
DERMORPHIN
DERMORPHIN ACETATE
DTXSID40228281
Dermorphin
H-Tyr-D-ala-phe-gly-tyr-pro-ser-NH2
HY-P0244
SCHEMBL237169
Tyr-Ala-Phe-Gly-Tyr-Pro-Ser
Tyr-D-Ala-Phe-Gly-Tyr-Pro-Ser-NH2
Tyrosyl-alanyl-phenylalanyl-glycyl-tyrosyl-prolyl-serinamide
UNII-2SEC01B703
YAFGYPS-NH2
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Structure |
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Formula |
C40H50N8O10
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Molecular Weight |
802.886
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Canonical SMILES |
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
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InChI |
InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1
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InChIKey |
FHZPGIUBXYVUOY-VWGYHWLBSA-N
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CAS |
77614-16-5
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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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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
Cell-based Assay
Protein ID: PT01360, Nociceptin receptor
Clinical Information about the Compound