General Information of the Compound
| Compound ID |
CP0396511
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| Compound Name |
3-(1,3-dihydroisoindol-2-ylsulfonyl)benzoic acid
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| Structure |
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| Formula |
C15H13NO4S
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| Molecular Weight |
303.339
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| Canonical SMILES |
OC(=O)c1cccc(c1)S(=O)(=O)N1Cc2ccccc2C1
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| InChI |
InChI=1S/C15H13NO4S/c17-15(18)11-6-3-7-14(8-11)21(19,20)16-9-12-4-1-2-5-13(12)10-16/h1-8H,9-10H2,(H,17,18)
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| InChIKey |
PMISBRGEZDFBQM-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