General Information of the Compound
| Compound ID |
CP0436431
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| Compound Name |
1-Benzenesulfonyl-5-fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
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| Structure |
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| Formula |
C19H17FN2O2S
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| Molecular Weight |
356.422
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| Canonical SMILES |
Fc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H17FN2O2S/c20-15-6-7-19-17(12-15)18(14-8-10-21-11-9-14)13-22(19)25(23,24)16-4-2-1-3-5-16/h1-8,12-13,21H,9-11H2
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| InChIKey |
NUUVOLYIPWHLCL-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