General Information of the Compound
| Compound ID |
CP0511249
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| Compound Name |
3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-2-methyl-propionic 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 |
CC(Cn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12)C(O)=O
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| InChI |
InChI=1S/C22H23FN2O4S/c1-14(22(26)27)13-25-20-5-3-2-4-18(20)19-12-16(8-11-21(19)25)24-30(28,29)17-9-6-15(23)7-10-17/h6-12,14,24H,2-5,13H2,1H3,(H,26,27)
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| InChIKey |
RGSLNAYUQSJEGN-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