General Information of the Compound
| Compound ID |
CP0395147
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| Compound Name |
3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-2-(2-piperazin-1-ylphenyl)-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 |
CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C1=O)c1ccccc1N1CCNCC1
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| InChI |
InChI=1S/C35H48N6O3S/c1-35(2,3)15-21-41-32(43)30(45-33(41)27-9-5-7-11-29(27)38-22-16-36-17-23-38)24-31(42)39-18-13-26(14-19-39)40-20-12-25-8-4-6-10-28(25)37-34(40)44/h4-11,26,30,33,36H,12-24H2,1-3H3,(H,37,44)
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| InChIKey |
PNVDQUIIGWMJEX-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