General Information of the Compound
| Compound ID |
CP0930303
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| Compound Name |
N'-cyano-2-({[4-[(3,4-dichlorophenyl)amino]-6-(methyloxy)quinazolin-7-yl]oxy}methyl)-N-[2-(methyloxy)ethyl]morpholine-4-carboximidamide
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| Structure |
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| Formula |
C25H27Cl2N7O4
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| Molecular Weight |
560.442
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| Canonical SMILES |
COCCN/C(=N\C#N)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C25H27Cl2N7O4/c1-35-7-5-29-25(30-14-28)34-6-8-37-17(12-34)13-38-23-11-21-18(10-22(23)36-2)24(32-15-31-21)33-16-3-4-19(26)20(27)9-16/h3-4,9-11,15,17H,5-8,12-13H2,1-2H3,(H,29,30)(H,31,32,33)
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| InChIKey |
ALVFQMWHUJBCDD-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