General Information of the Compound
| Compound ID |
CP0403688
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| Compound Name |
4-[[methyl-[2-[1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrazol-4-yl]ethyl]amino]methyl]benzonitrile
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| Structure |
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| Formula |
C21H19N7O
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| Molecular Weight |
385.431
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| Canonical SMILES |
CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H19N7O/c1-27(12-16-4-2-15(10-22)3-5-16)9-7-17-11-26-28(13-17)20-19-18(6-8-23-20)21(29)25-14-24-19/h2-6,8,11,13-14H,7,9,12H2,1H3,(H,24,25,29)
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| InChIKey |
UAKCGLKAUUAKCL-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