General Information of the Compound
| Compound ID |
CP0484611
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| Compound Name |
3-(3,3-dimethylbutyl)-2-[2-[4-(2-hydroxyethyl)piperazin-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 |
C36H50N6O4S
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| Molecular Weight |
662.901
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| Canonical SMILES |
CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1N1CCN(CCO)CC1
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| InChI |
InChI=1S/C36H50N6O4S/c1-36(2,3)14-17-41-33(45)31(47-34(41)28-9-5-7-11-30(28)39-20-18-38(19-21-39)22-23-43)24-32(44)40-15-12-27(13-16-40)42-25-26-8-4-6-10-29(26)37-35(42)46/h4-11,27,31,34,43H,12-25H2,1-3H3,(H,37,46)
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| InChIKey |
JGNOPXGYDFBQQX-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