General Information of the Compound
| Compound ID |
CP0434234
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| Compound Name |
1-tert-butyl-3-[5-cyano-2-(2-methylanilino)phenyl]sulfonylurea
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| Structure |
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
Cc1ccccc1Nc1ccc(cc1S(=O)(=O)NC(=O)NC(C)(C)C)C#N
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| InChI |
InChI=1S/C19H22N4O3S/c1-13-7-5-6-8-15(13)21-16-10-9-14(12-20)11-17(16)27(25,26)23-18(24)22-19(2,3)4/h5-11,21H,1-4H3,(H2,22,23,24)
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| InChIKey |
BITMRSCNJDVZIS-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