General Information of the Compound
| Compound ID |
CP0066253
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| Compound Name |
4-[[methyl-[3-[1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrazol-4-yl]propyl]amino]methyl]benzonitrile
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| Structure |
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| Formula |
C22H21N7O
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| Molecular Weight |
399.458
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| Canonical SMILES |
CN(CCCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H21N7O/c1-28(13-17-6-4-16(11-23)5-7-17)10-2-3-18-12-27-29(14-18)21-20-19(8-9-24-21)22(30)26-15-25-20/h4-9,12,14-15H,2-3,10,13H2,1H3,(H,25,26,30)
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| InChIKey |
INPKYGJHWGXUDF-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