General Information of the Compound
| Compound ID |
CP0043354
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| Compound Name |
2-[2-({(S)-2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-4-methyl-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-3-phenyl-propionylamino]-3-phenyl-propionic acid
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| Synonyms |
146369-65-5
147780-77-6
AC1LD8RR
BDBM50068664
CHEMBL191751
DTXSID60163362
H-Tyr-Tic-Phe-Phe-OH
L-Phenylalanine, L-tyrosyl-L-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-phenylalanyl-
L-Tyrosyl-L-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L- phenylalanyl-L-phenylalanine
TIPP
TIPP (opioid antagonist)
Tyr-Tic-Phe-PheOH
Tyr-tic-phe-phe-OH
Tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-phenylalanyl-phenylalanine
ZINC3942635
tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl- phenylalanyl-phenylalanine
tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-phenylalanyl-phenylalanine
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| Structure |
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| Formula |
C37H38N4O6
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| Molecular Weight |
634.733
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| Canonical SMILES |
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C37H38N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h1-18,30-33,42H,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1
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| InChIKey |
JYOUATXRHWNDDW-YRCZKMHPSA-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: PT01791, Delta-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Clinical Information about the Compound