General Information of the Compound
| Compound ID |
CP0288184
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| Compound Name |
1-(2-(methylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C19H20N2S
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| Molecular Weight |
308.45
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| Canonical SMILES |
CSc1ccccc1CC1NCCc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C19H20N2S/c1-22-18-9-5-2-6-13(18)12-17-19-15(10-11-20-17)14-7-3-4-8-16(14)21-19/h2-9,17,20-21H,10-12H2,1H3
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| InChIKey |
WMZQUSIXJTZPOX-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