General Information of the Compound
| Compound ID |
CP0112757
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| Compound Name |
1-{[(4-tert-butylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione
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| Structure |
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| Formula |
C19H20N2O2
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| Molecular Weight |
308.381
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| Canonical SMILES |
CC(C)(C)c1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C19H20N2O2/c1-19(2,3)13-8-10-14(11-9-13)20-12-21-16-7-5-4-6-15(16)17(22)18(21)23/h4-11,20H,12H2,1-3H3
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| InChIKey |
CUJLSJKIJGUGKA-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