General Information of the Compound
| Compound ID |
CP0374463
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| Compound Name |
3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1-(4-fluoro-phenyl)-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
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| Structure |
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| Formula |
C24H18BrFN2
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| Molecular Weight |
433.324
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| Canonical SMILES |
Fc1ccc(cc1)C1C\C(=C/c2ccccc2Br)C2=Nc3ccccc3CN12
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| InChI |
InChI=1S/C24H18BrFN2/c25-21-7-3-1-5-17(21)13-19-14-23(16-9-11-20(26)12-10-16)28-15-18-6-2-4-8-22(18)27-24(19)28/h1-13,23H,14-15H2/b19-13+
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| InChIKey |
FCXBFXNYODDCAZ-CPNJWEJPSA-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