General Information of the Compound
| Compound ID |
CP0497847
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| Compound Name |
3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-benzoic acid
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| Structure |
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| Formula |
C25H21FN2O4S
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| Molecular Weight |
464.518
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| Canonical SMILES |
OC(=O)c1cccc(c1)-n1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
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| InChI |
InChI=1S/C25H21FN2O4S/c26-17-8-11-20(12-9-17)33(31,32)27-18-10-13-24-22(15-18)21-6-1-2-7-23(21)28(24)19-5-3-4-16(14-19)25(29)30/h3-5,8-15,27H,1-2,6-7H2,(H,29,30)
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| InChIKey |
SIGUFMSHFRQPMQ-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