General Information of the Compound
| Compound ID |
CP0554572
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| Compound Name |
5-bromo-N-[[5-(4-fluorophenyl)pyridin-2-yl]methyl]-1H-indole-2-sulfonamide
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| Structure |
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| Formula |
C20H15BrFN3O2S
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| Molecular Weight |
460.328
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc(CNS(=O)(=O)c2cc3cc(Br)ccc3[nH]2)nc1
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| InChI |
InChI=1S/C20H15BrFN3O2S/c21-16-4-8-19-15(9-16)10-20(25-19)28(26,27)24-12-18-7-3-14(11-23-18)13-1-5-17(22)6-2-13/h1-11,24-25H,12H2
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| InChIKey |
CTVIAQGHCLSTLT-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