General Information of the Compound
| Compound ID |
CP0382806
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| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-7-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methoxy]quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C27H28ClFN8O3
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| Molecular Weight |
567.025
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| Canonical SMILES |
Fc1ccc(Nc2ncnc3cc(OCc4cn(CCCN5CCOCC5)nn4)c(NC(=O)C=C)cc23)cc1Cl
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| InChI |
InChI=1S/C27H28ClFN8O3/c1-2-26(38)33-24-13-20-23(30-17-31-27(20)32-18-4-5-22(29)21(28)12-18)14-25(24)40-16-19-15-37(35-34-19)7-3-6-36-8-10-39-11-9-36/h2,4-5,12-15,17H,1,3,6-11,16H2,(H,33,38)(H,30,31,32)
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| InChIKey |
DFDUYVRHGNUQHL-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