General Information of the Compound
| Compound ID |
CP0431537
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| Compound Name |
1-(4-Methoxy-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
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| Structure |
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| Formula |
C20H20N2O3S
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| Molecular Weight |
368.458
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12
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| InChI |
InChI=1S/C20H20N2O3S/c1-25-16-6-8-17(9-7-16)26(23,24)22-14-19(15-10-12-21-13-11-15)18-4-2-3-5-20(18)22/h2-10,14,21H,11-13H2,1H3
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| InChIKey |
IXQXYBZXTHWIKR-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