General Information of the Compound
| Compound ID |
CP0518735
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-7-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methoxy]quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C28H23ClFN7O3
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| Molecular Weight |
559.989
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| Canonical SMILES |
COc1ccc(Cn2cc(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5)c4cc3NC(=O)C=C)nn2)cc1
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| InChI |
InChI=1S/C28H23ClFN7O3/c1-3-27(38)34-25-11-21-24(31-16-32-28(21)33-18-6-9-23(30)22(29)10-18)12-26(25)40-15-19-14-37(36-35-19)13-17-4-7-20(39-2)8-5-17/h3-12,14,16H,1,13,15H2,2H3,(H,34,38)(H,31,32,33)
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| InChIKey |
IJHIBLXDVDXQDY-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