General Information of the Compound
| Compound ID |
CP0829442
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| Compound Name |
N-(5-chloro-1,3-benzodioxol-4-yl)-7-methoxy-5-(piperidin-4-yloxy)quinazolin-4-amine
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| Structure |
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| Formula |
C21H15ClN4O4
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| Molecular Weight |
422.828
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| Canonical SMILES |
COc1cc(Oc2ccncc2)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1
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| InChI |
InChI=1S/C21H15ClN4O4/c1-27-13-8-15-18(17(9-13)30-12-4-6-23-7-5-12)21(25-10-24-15)26-19-14(22)2-3-16-20(19)29-11-28-16/h2-10H,11H2,1H3,(H,24,25,26)
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| InChIKey |
WERIFZUGFNVEFZ-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