General Information of the Compound
| Compound ID |
CP0908289
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| Compound Name |
(R)-2-((R)-2-((2S,4S)-4-amino-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)-3-phenylpropanoic acid dihydrobromide
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| Structure |
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| Formula |
C32H38BrN5O6
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| Molecular Weight |
668.589
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| Canonical SMILES |
Br.N[C@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)O)N(C(=O)[C@@H](N)Cc2ccc(O)cc2)C1
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| InChI |
InChI=1S/C32H37N5O6.BrH/c33-23-18-28(37(19-23)31(41)25(34)15-22-11-13-24(38)14-12-22)30(40)35-26(16-20-7-3-1-4-8-20)29(39)36-27(32(42)43)17-21-9-5-2-6-10-21;/h1-14,23,25-28,38H,15-19,33-34H2,(H,35,40)(H,36,39)(H,42,43);1H/t23-,25-,26+,27+,28-;/m0./s1
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| InChIKey |
OFMRRGXTRGRVSO-YRLJJAFYSA-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