General Information of the Compound
| Compound ID |
CP0857908
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| Compound Name |
(R)-2-acetamido-N-((S)-1-(2-amino-2-oxoethylamino)-1-oxo-3-phenylpropan-2-yl)-5-guanidinopentanamide 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C21H30F3N7O6
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| Molecular Weight |
533.508
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| Canonical SMILES |
CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C19H29N7O4.C2HF3O2/c1-12(27)25-14(8-5-9-23-19(21)22)18(30)26-15(17(29)24-11-16(20)28)10-13-6-3-2-4-7-13;3-2(4,5)1(6)7/h2-4,6-7,14-15H,5,8-11H2,1H3,(H2,20,28)(H,24,29)(H,25,27)(H,26,30)(H4,21,22,23);(H,6,7)/t14-,15+;/m1./s1
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| InChIKey |
YCXOXQNYJNJIPS-LIOBNPLQSA-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