General Information of the Compound
| Compound ID |
CP0911598
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| Compound Name |
(R)-2-acetamido-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-3-(1H-imidazol-5-yl)propanamide 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C19H22F3N5O5
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| Molecular Weight |
457.409
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| Canonical SMILES |
CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H21N5O3.C2HF3O2/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12;3-2(4,5)1(6)7/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25);(H,6,7)/t14-,15+;/m0./s1
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| InChIKey |
VOZLSGRWMCCNDH-LDXVYITESA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor