General Information of the Compound
| Compound ID |
CP0048067
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| Compound Name |
1-{[(4-methylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione
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| Structure |
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| Formula |
C16H14N2O2
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| Molecular Weight |
266.3
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| Canonical SMILES |
Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3
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| InChIKey |
UFTXSYLWLUWMAC-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