General Information of the Compound
| Compound ID |
CP0141191
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| Compound Name |
[5-(3-cyano-1-methylindol-2-yl)pyridin-3-yl] N,N-dimethylsulfamate
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| Structure |
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| Formula |
C17H16N4O3S
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| Molecular Weight |
356.407
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| Canonical SMILES |
CN(C)S(=O)(=O)Oc1cncc(c1)-c1c(C#N)c2ccccc2n1C
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| InChI |
InChI=1S/C17H16N4O3S/c1-20(2)25(22,23)24-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)3/h4-8,10-11H,1-3H3
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| InChIKey |
JMCCZWAMXBITAL-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