General Information of the Compound
| Compound ID |
CP0141881
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| Compound Name |
[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-fluorophenyl)propanoate
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| Structure |
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| Formula |
C32H31F7N4O6
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| Molecular Weight |
700.608
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| Canonical SMILES |
C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H31F7N4O6/c1-17(42-29(47)25(40)12-18-4-8-24(44)9-5-18)28(46)41-15-27(45)43-26(13-19-2-6-23(33)7-3-19)30(48)49-16-20-10-21(31(34,35)36)14-22(11-20)32(37,38)39/h2-11,14,17,25-26,44H,12-13,15-16,40H2,1H3,(H,41,46)(H,42,47)(H,43,45)/t17-,25+,26+/m1/s1
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| InChIKey |
ZASPFNTXFLESNS-PLZPTFKGSA-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: PT01549, Mu-type opioid receptor
Protein ID: PT01410, Substance-P receptor
Protein ID: PT02240, Substance-P receptor