General Information of the Compound
| Compound ID |
CP0443693
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| Compound Name |
3-tert-butyl-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C28H34N4O3S
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| Molecular Weight |
506.672
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| Canonical SMILES |
CC(C)(C)N1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
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| InChI |
InChI=1S/C28H34N4O3S/c1-28(2,3)32-25(34)23(36-26(32)19-9-5-4-6-10-19)17-24(33)30-15-13-21(14-16-30)31-18-20-11-7-8-12-22(20)29-27(31)35/h4-12,21,23,26H,13-18H2,1-3H3,(H,29,35)
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| InChIKey |
ZTPGDOWKOZDDDN-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