General Information of the Compound
| Compound ID |
CP0309777
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| Compound Name |
4-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-3-methylbutylamino)butanoic acid
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| Structure |
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| Formula |
C33H41Cl2F3N4O4
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| Molecular Weight |
685.615
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| Canonical SMILES |
CC(C)C[C@H](NCCCC(O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
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| InChI |
InChI=1S/C33H41Cl2F3N4O4/c1-21(2)17-27(39-11-3-6-31(44)45)25-19-23(33(36,37)38)8-10-28(25)40-13-15-41(16-14-40)32(46)29(42-12-4-5-30(42)43)18-22-7-9-24(34)20-26(22)35/h7-10,19-21,27,29,39H,3-6,11-18H2,1-2H3,(H,44,45)/t27-,29+/m0/s1
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| InChIKey |
XNPVNWIDDNEPTG-LMSSTIIKSA-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