General Information of the Compound
| Compound ID |
CP0899592
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| Compound Name |
4-({[4-[(4-bromo-2-fluorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)-N'-cyanopiperidine-1-carboximidaimde
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| Structure |
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| Formula |
C23H23BrFN7O2
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| Molecular Weight |
528.386
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(/C(N)=N/C#N)CC1
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| InChI |
InChI=1S/C23H23BrFN7O2/c1-33-20-9-16-19(29-13-30-22(16)31-18-3-2-15(24)8-17(18)25)10-21(20)34-11-14-4-6-32(7-5-14)23(27)28-12-26/h2-3,8-10,13-14H,4-7,11H2,1H3,(H2,27,28)(H,29,30,31)
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| InChIKey |
BLPHPXYTDDFZER-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