General Information of the Compound
| Compound ID |
CP0453186
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| Compound Name |
3-Piperidin-3-yl-1-(thiophene-2-sulfonyl)-1H-indole
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| Structure |
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| Formula |
C17H18N2O2S2
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| Molecular Weight |
346.477
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| Canonical SMILES |
O=S(=O)(c1cccs1)n1cc(C2CCCNC2)c2ccccc12
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| InChI |
InChI=1S/C17H18N2O2S2/c20-23(21,17-8-4-10-22-17)19-12-15(13-5-3-9-18-11-13)14-6-1-2-7-16(14)19/h1-2,4,6-8,10,12-13,18H,3,5,9,11H2
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| InChIKey |
XYVUZYKIADHQGX-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