General Information of the Compound
| Compound ID |
CP0436433
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| Compound Name |
1-(5-Chloro-thiophene-2-sulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
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| Structure |
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| Formula |
C17H15ClN2O2S2
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| Molecular Weight |
378.906
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| Canonical SMILES |
Clc1ccc(s1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12
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| InChI |
InChI=1S/C17H15ClN2O2S2/c18-16-5-6-17(23-16)24(21,22)20-11-14(12-7-9-19-10-8-12)13-3-1-2-4-15(13)20/h1-7,11,19H,8-10H2
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| InChIKey |
ZMARUYAGTVNWCS-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