General Information of the Compound
| Compound ID |
CP0886832
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| Compound Name |
5-Chloro-1-ethyl-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
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| Structure |
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| Formula |
C16H19ClN2
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| Molecular Weight |
274.795
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| Canonical SMILES |
CCn1c(C)c(C2=CCNCC2)c2cc(Cl)ccc21
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| InChI |
InChI=1S/C16H19ClN2/c1-3-19-11(2)16(12-6-8-18-9-7-12)14-10-13(17)4-5-15(14)19/h4-6,10,18H,3,7-9H2,1-2H3
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| InChIKey |
JGQGBOCRZHHYSW-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