General Information of the Compound
| Compound ID |
CP0387857
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| Compound Name |
3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]ethyl]-2-(2-pyridin-3-ylphenyl)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C35H41N5O3S
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| Molecular Weight |
611.812
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| Canonical SMILES |
CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1-c1cccnc1
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| InChI |
InChI=1S/C35H41N5O3S/c1-35(2,3)16-20-39-32(42)30(44-33(39)28-12-6-5-11-27(28)24-10-8-17-36-22-24)21-31(41)38-18-14-26(15-19-38)40-23-25-9-4-7-13-29(25)37-34(40)43/h4-13,17,22,26,30,33H,14-16,18-21,23H2,1-3H3,(H,37,43)
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| InChIKey |
OBBHPTYGTVMRLK-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