General Information of the Compound
| Compound ID |
CP0467321
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| Compound Name |
3-(3,3-dimethylbutyl)-2-[4-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-5-[2-oxo-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C36H49FN6O3S
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| Molecular Weight |
664.892
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| Canonical SMILES |
CN1CCN(CC1)c1cc(F)ccc1C1SC(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N1CCC(C)(C)C
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| InChI |
InChI=1S/C36H49FN6O3S/c1-36(2,3)14-18-43-33(45)31(47-34(43)28-10-9-26(37)23-30(28)40-21-19-39(4)20-22-40)24-32(44)41-15-12-27(13-16-41)42-17-11-25-7-5-6-8-29(25)38-35(42)46/h5-10,23,27,31,34H,11-22,24H2,1-4H3,(H,38,46)
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| InChIKey |
JQVJIZRMTCKEHP-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