General Information of the Compound
| Compound ID |
CP0435410
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| Compound Name |
2-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid
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| Structure |
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| Formula |
C21H21FN2O4S
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| Molecular Weight |
416.474
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| Canonical SMILES |
CC(C(O)=O)n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
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| InChI |
InChI=1S/C21H21FN2O4S/c1-13(21(25)26)24-19-5-3-2-4-17(19)18-12-15(8-11-20(18)24)23-29(27,28)16-9-6-14(22)7-10-16/h6-13,23H,2-5H2,1H3,(H,25,26)
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| InChIKey |
ORGXYKVKSGNXTR-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