General Information of the Compound
| Compound ID |
CP0406337
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| Compound Name |
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]but-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 |
C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
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| InChI |
InChI=1S/C25H27ClFN5O3/c1-2-4-24(33)31-22-14-18-21(15-23(22)35-10-3-7-32-8-11-34-12-9-32)28-16-29-25(18)30-17-5-6-20(27)19(26)13-17/h2,4-6,13-16H,3,7-12H2,1H3,(H,31,33)(H,28,29,30)/b4-2+
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| InChIKey |
JEWUEUCNKZKAGM-DUXPYHPUSA-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