General Information of the Compound
| Compound ID |
CP0505489
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| Compound Name |
3-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-1-butyl-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
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| Structure |
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| Formula |
C22H23BrN2
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| Molecular Weight |
395.344
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| Canonical SMILES |
CCCCC1C\C(=C/c2ccccc2Br)C2=Nc3ccccc3CN12
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| InChI |
InChI=1S/C22H23BrN2/c1-2-3-10-19-14-18(13-16-8-4-6-11-20(16)23)22-24-21-12-7-5-9-17(21)15-25(19)22/h4-9,11-13,19H,2-3,10,14-15H2,1H3/b18-13+
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| InChIKey |
HRGAPNBATRLDQZ-QGOAFFKASA-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