General Information of the Compound
| Compound ID |
CP0546495
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| Compound Name |
N-(3-ethynyl-2-fluorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
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| Structure |
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| Formula |
C18H12FN3O2
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| Molecular Weight |
321.311
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| Canonical SMILES |
Fc1c(Nc2ncnc3cc4OCCOc4cc23)cccc1C#C
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| InChI |
InChI=1S/C18H12FN3O2/c1-2-11-4-3-5-13(17(11)19)22-18-12-8-15-16(24-7-6-23-15)9-14(12)20-10-21-18/h1,3-5,8-10H,6-7H2,(H,20,21,22)
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| InChIKey |
XMEHBIOLAPILQC-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