General Information of the Compound
| Compound ID |
CP0048066
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| Compound Name |
1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione
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| Structure |
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| Formula |
C17H16N2O2
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| Molecular Weight |
280.327
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| Canonical SMILES |
CCc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C17H16N2O2/c1-2-12-7-9-13(10-8-12)18-11-19-15-6-4-3-5-14(15)16(20)17(19)21/h3-10,18H,2,11H2,1H3
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| InChIKey |
RSHQIUJQSSPXSC-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