General Information of the Compound
| Compound ID |
CP0431772
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| Compound Name |
2-[2-(4-butylpiperazin-1-yl)phenyl]-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 |
C38H54N6O3S
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| Molecular Weight |
674.956
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| Canonical SMILES |
CCCCN1CCN(CC1)c1ccccc1C1SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
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| InChI |
InChI=1S/C38H54N6O3S/c1-5-6-18-40-22-24-41(25-23-40)32-14-10-8-12-30(32)36-43(21-17-38(2,3)4)35(46)33(48-36)26-34(45)42-19-15-29(16-20-42)44-27-28-11-7-9-13-31(28)39-37(44)47/h7-14,29,33,36H,5-6,15-27H2,1-4H3,(H,39,47)
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| InChIKey |
WOBWACBYJMRKDB-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