General Information of the Compound
| Compound ID |
CP0509900
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-[(2- pyrrolidin-1-ylethyl)oxy]quinazolin-4-amine
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| Structure |
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| Formula |
C21H22Cl2N4O2
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| Molecular Weight |
433.339
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN1CCCC1
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| InChI |
InChI=1S/C21H22Cl2N4O2/c1-28-19-11-15-18(12-20(19)29-9-8-27-6-2-3-7-27)24-13-25-21(15)26-14-4-5-16(22)17(23)10-14/h4-5,10-13H,2-3,6-9H2,1H3,(H,24,25,26)
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| InChIKey |
INTICWGTKLQPSH-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