General Information of the Compound
| Compound ID |
CP0216238
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| Compound Name |
(4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
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| Synonyms |
(4s,7s,13s)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(l-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
(D-Pen2,D-Pen5)-Enkephalin
2,5-Pen-enkephalin
88373-73-3
CHEBI:73356
CHEMBL31421
D-Valine, L-tyros
D-penicillamine-(2,5)-enkephalin
DPDPE
DPLPE
Enkephalin, D-penicillamine (2,5)-
Enkephalin, penicillamine(2,5)-
H-Tyr-c(D-Pen-Gly-Phe-D-Pen)-OH
H-Tyr-cyclo-(D-Pen-Gly-Phe-D-Pen)-OH
[3H]DPDPE
[D-Pen(2)-D-Pen(5)]-enkephaline
c[D-Pen(2,5)]-enkephalin
cyclo-[D-Pen(2,5)]-enkephalin
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| Structure |
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| Formula |
C30H39N5O7S2
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| Molecular Weight |
645.804
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| Canonical SMILES |
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
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| InChI |
InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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| InChIKey |
MCMMCRYPQBNCPH-WMIMKTLMSA-N
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| CAS |
88373-73-3
88381-29-7
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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
Cell-based Assay
Protein ID: PT01526, Delta-type opioid receptor
Protein ID: PT01791, Delta-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Clinical Information about the Compound