General Information of the Compound
| Compound ID |
CP0355970
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| Compound Name |
1,3-dihydroisoindol-2-yl-[5-(2,4-dimethylphenyl)sulfanyl-2,4-dihydroxyphenyl]methanone
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| Structure |
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| Formula |
C23H21NO3S
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| Molecular Weight |
391.492
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| Canonical SMILES |
Cc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)c(C)c1
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| InChI |
InChI=1S/C23H21NO3S/c1-14-7-8-21(15(2)9-14)28-22-10-18(19(25)11-20(22)26)23(27)24-12-16-5-3-4-6-17(16)13-24/h3-11,25-26H,12-13H2,1-2H3
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| InChIKey |
OBWBBGXWWLECEF-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