General Information of the Compound
| Compound ID |
CP0574723
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| Compound Name |
N-(3,4-dichlorophenyl)-7-{[2-(1,3-dioxan-2- yl)ethyl]oxy}-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C21H21Cl2N3O4
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| Molecular Weight |
450.322
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1OCCCO1
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| InChI |
InChI=1S/C21H21Cl2N3O4/c1-27-18-10-14-17(11-19(18)28-8-5-20-29-6-2-7-30-20)24-12-25-21(14)26-13-3-4-15(22)16(23)9-13/h3-4,9-12,20H,2,5-8H2,1H3,(H,24,25,26)
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| InChIKey |
KBVAWHBMEYHTMD-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