General Information of the Compound
| Compound ID |
CP0238029
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| Compound Name |
1,3-dihydroisoindol-2-yl-[2,4-dihydroxy-5-(2-hydroxyphenyl)sulfanylphenyl]methanone
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| Structure |
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| Formula |
C21H17NO4S
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| Molecular Weight |
379.437
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| Canonical SMILES |
Oc1ccccc1Sc1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
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| InChI |
InChI=1S/C21H17NO4S/c23-16-7-3-4-8-19(16)27-20-9-15(17(24)10-18(20)25)21(26)22-11-13-5-1-2-6-14(13)12-22/h1-10,23-25H,11-12H2
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| InChIKey |
DRKMNCVJYMOBFE-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