General Information of the Compound
| Compound ID |
CP0308798
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| Compound Name |
2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-oxopyrrolidin-1-yl)propanoyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-3-methylbutylamino)acetic acid
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| Structure |
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| Formula |
C31H37Cl2F3N4O4
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| Molecular Weight |
657.561
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| Canonical SMILES |
CC(C)C[C@H](NCC(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/C31H37Cl2F3N4O4/c1-19(2)14-25(37-18-29(42)43)23-16-21(31(34,35)36)6-8-26(23)38-10-12-39(13-11-38)30(44)27(40-9-3-4-28(40)41)15-20-5-7-22(32)17-24(20)33/h5-8,16-17,19,25,27,37H,3-4,9-15,18H2,1-2H3,(H,42,43)/t25-,27+/m0/s1
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| InChIKey |
GGRHVKPDRUOVCO-AHKZPQOWSA-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