General Information of the Compound
| Compound ID |
CP0082996
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| Compound Name |
4-hydroxy-3-[4-(pyrazin-2-ylmethylamino)quinazolin-2-yl]benzonitrile
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| Structure |
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| Formula |
C20H14N6O
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| Molecular Weight |
354.373
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| Canonical SMILES |
Oc1ccc(cc1-c1nc(NCc2cnccn2)c2ccccc2n1)C#N
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| InChI |
InChI=1S/C20H14N6O/c21-10-13-5-6-18(27)16(9-13)20-25-17-4-2-1-3-15(17)19(26-20)24-12-14-11-22-7-8-23-14/h1-9,11,27H,12H2,(H,24,25,26)
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| InChIKey |
QDODJLGZFKWWCO-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