General Information of the Compound
| Compound ID |
CP0482138
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| Compound Name |
1-[2-[bis(2-methylpropyl)amino]-5-[2-(trifluoromethylsulfonylamino)phenyl]phenyl]-3-(4-methylphenyl)urea
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| Structure |
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| Formula |
C29H35F3N4O3S
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| Molecular Weight |
576.685
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| Canonical SMILES |
CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(C)cc1)-c1ccccc1NS(=O)(=O)C(F)(F)F
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| InChI |
InChI=1S/C29H35F3N4O3S/c1-19(2)17-36(18-20(3)4)27-15-12-22(16-26(27)34-28(37)33-23-13-10-21(5)11-14-23)24-8-6-7-9-25(24)35-40(38,39)29(30,31)32/h6-16,19-20,35H,17-18H2,1-5H3,(H2,33,34,37)
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| InChIKey |
ZSRGSCRWQASAIX-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