General Information of the Compound
| Compound ID |
CP0857428
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| Compound Name |
2-Methyl-5-methylsulfanyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
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| Structure |
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| Formula |
C15H18N2S
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| Molecular Weight |
258.39
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| Canonical SMILES |
CSc1ccc2[nH]c(C)c(C3=CCNCC3)c2c1
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| InChI |
InChI=1S/C15H18N2S/c1-10-15(11-5-7-16-8-6-11)13-9-12(18-2)3-4-14(13)17-10/h3-5,9,16-17H,6-8H2,1-2H3
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| InChIKey |
PYXFRMLACHDGND-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