General Information of the Compound
| Compound ID |
CP0453185
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| Compound Name |
1-(3,4-Difluoro-benzenesulfonyl)-3-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 |
Fc1ccc(cc1F)S(=O)(=O)n1cc(C2CCCNC2)c2ccccc12
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| InChI |
InChI=1S/C19H18F2N2O2S/c20-17-8-7-14(10-18(17)21)26(24,25)23-12-16(13-4-3-9-22-11-13)15-5-1-2-6-19(15)23/h1-2,5-8,10,12-13,22H,3-4,9,11H2
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| InChIKey |
WYIXSNCSCVYJDE-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