General Information of the Compound
| Compound ID |
CP0419505
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| Compound Name |
1-(3-Chloro-benzenesulfonyl)-3-(1,2,5,6-tetrahydro-pyridin-3-yl)-1H-indole
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| Structure |
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| Formula |
C19H17ClN2O2S
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| Molecular Weight |
372.877
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)n1cc(C2=CCCNC2)c2ccccc12
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| InChI |
InChI=1S/C19H17ClN2O2S/c20-15-6-3-7-16(11-15)25(23,24)22-13-18(14-5-4-10-21-12-14)17-8-1-2-9-19(17)22/h1-3,5-9,11,13,21H,4,10,12H2
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| InChIKey |
IKCDNJSKOOQPBO-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