General Information of the Compound
| Compound ID |
CP0398840
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| Compound Name |
5-fluoro-3-(3-fluorophenylsulfonyl)-1-(piperidin-3-yl)-1H-indole
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| Structure |
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| Formula |
C19H18F2N2O2S
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| Molecular Weight |
376.428
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| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)c1cn(C2CCCNC2)c2ccc(F)cc12
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| InChI |
InChI=1S/C19H18F2N2O2S/c20-13-3-1-5-16(9-13)26(24,25)19-12-23(15-4-2-8-22-11-15)18-7-6-14(21)10-17(18)19/h1,3,5-7,9-10,12,15,22H,2,4,8,11H2
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| InChIKey |
HDORTSZBIXHHAF-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