General Information of the Compound
| Compound ID |
CP0536588
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| Compound Name |
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-2-carbonitrile
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| Structure |
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| Formula |
C26H18N6
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| Molecular Weight |
414.472
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| Canonical SMILES |
N#Cc1ccc(cn1)-c1nc(NCc2ccccn2)c2c(cccc2n1)-c1ccccc1
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| InChI |
InChI=1S/C26H18N6/c27-15-20-13-12-19(16-29-20)25-31-23-11-6-10-22(18-7-2-1-3-8-18)24(23)26(32-25)30-17-21-9-4-5-14-28-21/h1-14,16H,17H2,(H,30,31,32)
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| InChIKey |
GMCHQGJUBIJICJ-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