General Information of the Compound
| Compound ID |
CP0727949
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| Compound Name |
N-(5-chlorobenzo[d][1,3]dioxol-4-yl)-5-(pyridin-4-yloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C20H13ClN4O3
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| Molecular Weight |
392.802
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| Canonical SMILES |
Clc1ccc2c(c1Nc1ncnc3cccc(Oc4ccncc4)c13)OCO2
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| InChI |
InChI=1S/C20H13ClN4O3/c21-13-4-5-16-19(27-11-26-16)18(13)25-20-17-14(23-10-24-20)2-1-3-15(17)28-12-6-8-22-9-7-12/h1-10H,11H2,(H,23,24,25)
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| InChIKey |
PHAAIKAANHPKFM-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