General Information of the Compound
| Compound ID |
CP0111908
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| Compound Name |
8-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[2,1-b]quinazoline-6,12-dione
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| Structure |
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| Formula |
C21H18BFN2O4
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| Molecular Weight |
392.195
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| Canonical SMILES |
CC1(C)OB(OC1(C)C)c1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
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| InChI |
InChI=1S/C21H18BFN2O4/c1-20(2)21(3,4)29-22(28-20)11-5-7-15-13(9-11)19(27)25-16-8-6-12(23)10-14(16)17(26)18(25)24-15/h5-10H,1-4H3
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| InChIKey |
NIRSZJKISIXDDH-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