General Information of the Compound
| Compound ID |
CP0487724
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[2-(1- ethylpiperidin-2-yl)-1,3-thiazol-4- yl]methyl}oxy)-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C26H27Cl2N5O2S
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| Molecular Weight |
544.508
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| Canonical SMILES |
CCN1CCCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
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| InChI |
InChI=1S/C26H27Cl2N5O2S/c1-3-33-9-5-4-6-22(33)26-32-17(14-36-26)13-35-24-12-21-18(11-23(24)34-2)25(30-15-29-21)31-16-7-8-19(27)20(28)10-16/h7-8,10-12,14-15,22H,3-6,9,13H2,1-2H3,(H,29,30,31)
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| InChIKey |
WVXLPNDNCDLCQW-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