General Information of the Compound
| Compound ID |
CP0154937
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| Compound Name |
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-6-ol
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| Structure |
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| Formula |
C17H16N2OS
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| Molecular Weight |
296.395
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| Canonical SMILES |
Oc1ccc2sc3CN(Cc4cccnc4)CCc3c2c1
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| InChI |
InChI=1S/C17H16N2OS/c20-13-3-4-16-15(8-13)14-5-7-19(11-17(14)21-16)10-12-2-1-6-18-9-12/h1-4,6,8-9,20H,5,7,10-11H2
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| InChIKey |
ANUZIFIVTLHYHV-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