General Information of the Compound
| Compound ID |
CP0525364
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| Compound Name |
5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-phenyl-3-(1-phenylethyl)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C32H34N4O3S
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| Molecular Weight |
554.716
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| Canonical SMILES |
CC(N1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H34N4O3S/c1-22(23-10-4-2-5-11-23)36-30(38)28(40-31(36)24-12-6-3-7-13-24)20-29(37)34-18-16-26(17-19-34)35-21-25-14-8-9-15-27(25)33-32(35)39/h2-15,22,26,28,31H,16-21H2,1H3,(H,33,39)
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| InChIKey |
NCLYJGNKSYQUPZ-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