General Information of the Compound
| Compound ID |
CP0444246
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| Compound Name |
N-(3-bromo-2,6-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 |
Fc1ccc(Br)c(F)c1Nc1ncnc2cc3OCCOc3cc12
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| InChI |
InChI=1S/C16H10BrF2N3O2/c17-9-1-2-10(18)15(14(9)19)22-16-8-5-12-13(24-4-3-23-12)6-11(8)20-7-21-16/h1-2,5-7H,3-4H2,(H,20,21,22)
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| InChIKey |
NVCSIFNUNPPUFH-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