General Information of the Compound
| Compound ID |
CP0540561
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| Compound Name |
N-(3-bromo-2,5-difluorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
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| Structure |
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| Formula |
C16H10BrF2N3O2
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| Molecular Weight |
394.175
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| Canonical SMILES |
Fc1cc(Br)c(F)c(Nc2ncnc3cc4OCCOc4cc23)c1
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| InChI |
InChI=1S/C16H10BrF2N3O2/c17-10-3-8(18)4-12(15(10)19)22-16-9-5-13-14(24-2-1-23-13)6-11(9)20-7-21-16/h3-7H,1-2H2,(H,20,21,22)
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| InChIKey |
XGZNHPPBJUBKHU-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