General Information of the Compound
| Compound ID |
CP0859145
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| Compound Name |
ethyl 3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ylcarbamimidothioate dihydrochloride
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| Structure |
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| Formula |
C17H24Cl2N4S
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| Molecular Weight |
387.38
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| Canonical SMILES |
CCSC(=N)Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.Cl.Cl
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| InChI |
InChI=1S/C17H22N4S.2ClH/c1-3-22-17(18)20-13-4-5-16-14(10-13)15(11-19-16)12-6-8-21(2)9-7-12;;/h4-6,10-11,19H,3,7-9H2,1-2H3,(H2,18,20);2*1H
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| InChIKey |
IXQQWIWKAKTCRW-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