General Information of the Compound
| Compound ID |
CP0504859
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| Compound Name |
6,7-Dimethoxy-4-(3-methylthiophenylamino)quinoline-3-carbonitrile Hydrochloride
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| Structure |
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| Formula |
C19H17N3O2S
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| Molecular Weight |
351.431
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| Canonical SMILES |
COc1cc2ncc(C#N)c(Nc3cccc(SC)c3)c2cc1OC
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| InChI |
InChI=1S/C19H17N3O2S/c1-23-17-8-15-16(9-18(17)24-2)21-11-12(10-20)19(15)22-13-5-4-6-14(7-13)25-3/h4-9,11H,1-3H3,(H,21,22)
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| InChIKey |
ZSJDOQUXSFYFRM-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