General Information of the Compound
| Compound ID |
CP0387859
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| Compound Name |
2-(2,3-difluorophenyl)-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C30H36F2N4O3S
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| Molecular Weight |
570.706
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| Canonical SMILES |
CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1cccc(F)c1F
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| InChI |
InChI=1S/C30H36F2N4O3S/c1-30(2,3)13-16-35-27(38)24(40-28(35)21-8-6-9-22(31)26(21)32)17-25(37)34-14-11-20(12-15-34)36-18-19-7-4-5-10-23(19)33-29(36)39/h4-10,20,24,28H,11-18H2,1-3H3,(H,33,39)
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| InChIKey |
YSBINGQKOYLDOL-UHFFFAOYSA-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