General Information of the Compound
| Compound ID |
CP0141271
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| Compound Name |
1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione
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| Structure |
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| Formula |
C18H18N2O5
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| Molecular Weight |
342.351
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| Canonical SMILES |
COc1cc(NCN2C(=O)C(=O)c3ccccc23)cc(OC)c1OC
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| InChI |
InChI=1S/C18H18N2O5/c1-23-14-8-11(9-15(24-2)17(14)25-3)19-10-20-13-7-5-4-6-12(13)16(21)18(20)22/h4-9,19H,10H2,1-3H3
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| InChIKey |
PMOXSSDYTPGESZ-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