General Information of the Compound
| Compound ID |
CP0905184
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| Compound Name |
2-(4-(4-methoxyphenyl)thiazol-2-yl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C18H12N2O3S
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| Molecular Weight |
336.372
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| Canonical SMILES |
COc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)n2)cc1
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| InChI |
InChI=1S/C18H12N2O3S/c1-23-12-8-6-11(7-9-12)15-10-24-18(19-15)20-16(21)13-4-2-3-5-14(13)17(20)22/h2-10H,1H3
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| InChIKey |
BXWZNLOLFUJTON-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