General Information of the Compound
| Compound ID |
CP0525357
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| Compound Name |
3-(3,3-dimethylbutyl)-2-(2-fluorophenyl)-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 |
C30H37FN4O3S
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| Molecular Weight |
552.716
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| Canonical SMILES |
CC(C)(C)CCN1C(SC(CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1F
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| InChI |
InChI=1S/C30H37FN4O3S/c1-30(2,3)14-17-34-27(37)25(39-28(34)22-9-5-6-10-23(22)31)18-26(36)33-15-12-21(13-16-33)35-19-20-8-4-7-11-24(20)32-29(35)38/h4-11,21,25,28H,12-19H2,1-3H3,(H,32,38)
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| InChIKey |
OABJCMQAAHAZQG-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