General Information of the Compound
| Compound ID |
CP0508006
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| Compound Name |
7-[(cyclobutylmethyl)oxy]-N-(3,4- dichlorophenyl)-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C20H19Cl2N3O2
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| Molecular Weight |
404.297
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CCC1
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| InChI |
InChI=1S/C20H19Cl2N3O2/c1-26-18-8-14-17(9-19(18)27-10-12-3-2-4-12)23-11-24-20(14)25-13-5-6-15(21)16(22)7-13/h5-9,11-12H,2-4,10H2,1H3,(H,23,24,25)
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| InChIKey |
GOTKNVOMZNDPKT-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