General Information of the Compound
| Compound ID |
CP0249953
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| Compound Name |
1,3-dihydroisoindol-2-yl-[2,4-dihydroxy-5-(3-methoxyphenyl)sulfanylphenyl]methanone
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| Structure |
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| Formula |
C22H19NO4S
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| Molecular Weight |
393.464
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| Canonical SMILES |
COc1cccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)c1
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| InChI |
InChI=1S/C22H19NO4S/c1-27-16-7-4-8-17(9-16)28-21-10-18(19(24)11-20(21)25)22(26)23-12-14-5-2-3-6-15(14)13-23/h2-11,24-25H,12-13H2,1H3
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| InChIKey |
NEEAWPSSFCWNJY-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