General Information of the Compound
| Compound ID |
CP0004567
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| Compound Name |
5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-1,3-dione
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| Structure |
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| Formula |
C21H17N3O3
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| Molecular Weight |
359.385
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| Canonical SMILES |
COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
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| InChI |
InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
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| InChIKey |
LESFPZSUPOHBIP-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