General Information of the Compound
| Compound ID |
CP0554959
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| Compound Name |
1,3-dihydroisoindol-2-yl-[2,4-dihydroxy-5-(4-methylanilino)phenyl]methanone
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| Structure |
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| Formula |
C22H20N2O3
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| Molecular Weight |
360.413
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| Canonical SMILES |
Cc1ccc(Nc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1
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| InChI |
InChI=1S/C22H20N2O3/c1-14-6-8-17(9-7-14)23-19-10-18(20(25)11-21(19)26)22(27)24-12-15-4-2-3-5-16(15)13-24/h2-11,23,25-26H,12-13H2,1H3
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| InChIKey |
NRNVQNBPTHAHJM-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