General Information of the Compound
| Compound ID |
CP0532922
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| Compound Name |
N-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-5-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
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| Structure |
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| Formula |
C25H17F3N6
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| Molecular Weight |
458.447
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1cccc2nc(nc(NCc3ccccn3)c12)-c1cncnc1
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| InChI |
InChI=1S/C25H17F3N6/c26-25(27,28)18-9-7-16(8-10-18)20-5-3-6-21-22(20)24(32-14-19-4-1-2-11-31-19)34-23(33-21)17-12-29-15-30-13-17/h1-13,15H,14H2,(H,32,33,34)
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| InChIKey |
SNYQBLGRUGSGAI-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