General Information of the Compound
| Compound ID |
CP0367981
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| Compound Name |
3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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| Structure |
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| Formula |
C28H23FN4OS
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| Molecular Weight |
482.584
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| Canonical SMILES |
CC(C)(C(c1ccccc1)c1cc(-c2ccc(F)cc2)c2ncccc2c1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C28H23FN4OS/c1-28(2,26(34)32-27-33-31-17-35-27)24(19-7-4-3-5-8-19)21-15-20-9-6-14-30-25(20)23(16-21)18-10-12-22(29)13-11-18/h3-17,24H,1-2H3,(H,32,33,34)
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| InChIKey |
WQGVCBNPWJYJGB-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