General Information of the Compound
| Compound ID |
CP0327137
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| Compound Name |
4-hydroxy-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzonitrile
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| Structure |
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| Formula |
C21H15N5O
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| Molecular Weight |
353.385
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| Canonical SMILES |
Oc1ccc(cc1-c1nc(NCc2cccnc2)c2ccccc2n1)C#N
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| InChI |
InChI=1S/C21H15N5O/c22-11-14-7-8-19(27)17(10-14)21-25-18-6-2-1-5-16(18)20(26-21)24-13-15-4-3-9-23-12-15/h1-10,12,27H,13H2,(H,24,25,26)
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| InChIKey |
BPTUCHARDQHTEK-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