General Information of the Compound
| Compound ID |
CP0019820
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| Compound Name |
7-(1-methylpyrazol-4-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
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| Structure |
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| Formula |
C17H17N5
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| Molecular Weight |
291.358
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| Canonical SMILES |
CC(C)Nc1c(cnc2cc(ccc12)-c1cnn(C)c1)C#N
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| InChI |
InChI=1S/C17H17N5/c1-11(2)21-17-13(7-18)8-19-16-6-12(4-5-15(16)17)14-9-20-22(3)10-14/h4-6,8-11H,1-3H3,(H,19,21)
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| InChIKey |
XXPMZJXWFXBNBY-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