General Information of the Compound
| Compound ID |
CP0431774
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| Compound Name |
3-(3,3-dimethylbutyl)-2-[2-(4-methylpiperazin-1-yl)phenyl]-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 |
C35H48N6O3S
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| Molecular Weight |
632.875
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| Canonical SMILES |
CN1CCN(CC1)c1ccccc1C1SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
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| InChI |
InChI=1S/C35H48N6O3S/c1-35(2,3)15-18-40-32(43)30(45-33(40)27-10-6-8-12-29(27)38-21-19-37(4)20-22-38)23-31(42)39-16-13-26(14-17-39)41-24-25-9-5-7-11-28(25)36-34(41)44/h5-12,26,30,33H,13-24H2,1-4H3,(H,36,44)
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| InChIKey |
ORQLPHMUPMGJPQ-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