General Information of the Compound
| Compound ID |
CP0332828
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| Compound Name |
1-(2-(propylthio)benzyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C21H24N2S
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| Molecular Weight |
336.504
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| Canonical SMILES |
CCCSc1ccccc1CC1NCCc2c1[nH]c1ccccc21
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| InChI |
InChI=1S/C21H24N2S/c1-2-13-24-20-10-6-3-7-15(20)14-19-21-17(11-12-22-19)16-8-4-5-9-18(16)23-21/h3-10,19,22-23H,2,11-14H2,1H3
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| InChIKey |
YFRIVUKULQQDNN-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