General Information of the Compound
| Compound ID |
CP0430194
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| Compound Name |
4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-isothiazolo[4,5-c]pyridine
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| Structure |
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| Formula |
C19H16N4O2S2
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| Molecular Weight |
396.497
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| Canonical SMILES |
O=S(=O)(c1nccc2sncc12)n1cc(C2=CCNCC2)c2ccccc12
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| InChI |
InChI=1S/C19H16N4O2S2/c24-27(25,19-15-11-22-26-18(15)7-10-21-19)23-12-16(13-5-8-20-9-6-13)14-3-1-2-4-17(14)23/h1-5,7,10-12,20H,6,8-9H2
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| InChIKey |
GRDKGQSOKNBODD-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