General Information of the Compound
| Compound ID |
CP0509498
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| Compound Name |
2-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-butyric acid
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| Structure |
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| Formula |
C22H23FN2O4S
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| Molecular Weight |
430.501
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| Canonical SMILES |
CCC(C(O)=O)n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
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| InChI |
InChI=1S/C22H23FN2O4S/c1-2-19(22(26)27)25-20-6-4-3-5-17(20)18-13-15(9-12-21(18)25)24-30(28,29)16-10-7-14(23)8-11-16/h7-13,19,24H,2-6H2,1H3,(H,26,27)
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| InChIKey |
FIPFUOSSUXVXFZ-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