General Information of the Compound
| Compound ID |
CP0420032
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| Compound Name |
3-[6-(Toluene-3-sulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid
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| Structure |
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| Formula |
C22H24N2O4S
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| Molecular Weight |
412.511
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)Nc1ccc2n(CCC(O)=O)c3CCCCc3c2c1
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| InChI |
InChI=1S/C22H24N2O4S/c1-15-5-4-6-17(13-15)29(27,28)23-16-9-10-21-19(14-16)18-7-2-3-8-20(18)24(21)12-11-22(25)26/h4-6,9-10,13-14,23H,2-3,7-8,11-12H2,1H3,(H,25,26)
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| InChIKey |
GDBPTTIBGDOKEH-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