General Information of the Compound
| Compound ID |
CP0374478
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-2-methylprop-2-enamide
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| Structure |
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| Formula |
C25H27ClFN5O3
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| Molecular Weight |
499.974
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| Canonical SMILES |
CC(=C)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
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| InChI |
InChI=1S/C25H27ClFN5O3/c1-16(2)25(33)31-22-13-18-21(14-23(22)35-9-3-6-32-7-10-34-11-8-32)28-15-29-24(18)30-17-4-5-20(27)19(26)12-17/h4-5,12-15H,1,3,6-11H2,2H3,(H,31,33)(H,28,29,30)
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| InChIKey |
LYZQHVCHNLZIEV-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