General Information of the Compound
| Compound ID |
CP0433145
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| Compound Name |
2-(2-(3-(2-bromo-4-(trifluoromethoxy)phenyl)-1-ethylureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid
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| Structure |
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| Formula |
C23H24BrF3N2O4S
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| Molecular Weight |
561.42
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| Canonical SMILES |
CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br
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| InChI |
InChI=1S/C23H24BrF3N2O4S/c1-4-29(21(32)28-19-8-6-16(12-18(19)24)33-23(25,26)27)15-9-13-5-7-17(11-14(13)10-15)34-22(2,3)20(30)31/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,28,32)(H,30,31)
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| InChIKey |
WUPWRQQPRLHFIS-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