General Information of the Compound
| Compound ID |
CP0185411
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| Compound Name |
7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C17H16N4S
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| Molecular Weight |
308.41
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| Canonical SMILES |
CC(C)Nc1c(cnc2cc(ccc12)-c1cnc(C)s1)C#N
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| InChI |
InChI=1S/C17H16N4S/c1-10(2)21-17-13(7-18)8-20-15-6-12(4-5-14(15)17)16-9-19-11(3)22-16/h4-6,8-10H,1-3H3,(H,20,21)
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| InChIKey |
LIDRYPOUXPJLGX-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