General Information of the Compound
| Compound ID |
CP0442320
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| Compound Name |
2-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-ethanesulfonic acid
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| Structure |
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| Formula |
C20H21FN2O5S2
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| Molecular Weight |
452.529
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| Canonical SMILES |
OS(=O)(=O)CCn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
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| InChI |
InChI=1S/C20H21FN2O5S2/c21-14-5-8-16(9-6-14)30(27,28)22-15-7-10-20-18(13-15)17-3-1-2-4-19(17)23(20)11-12-29(24,25)26/h5-10,13,22H,1-4,11-12H2,(H,24,25,26)
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| InChIKey |
DLRKVBUJBAROPQ-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