General Information of the Compound
| Compound ID |
CP0548854
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| Compound Name |
(3E)-3-[(2-bromophenyl)methylidene]-N-methyl-1,2-dihydropyrrolo[2,1-b]quinazolin-9-imine
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| Formula |
C19H16BrN3
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| Molecular Weight |
366.262
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| Canonical SMILES |
C\N=c1/n2CC\C(=C/c3ccccc3Br)c2nc2ccccc12
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| InChI |
InChI=1S/C19H16BrN3/c1-21-19-15-7-3-5-9-17(15)22-18-14(10-11-23(18)19)12-13-6-2-4-8-16(13)20/h2-9,12H,10-11H2,1H3/b14-12+,21-19-
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| InChIKey |
YTMALFIGGAIEON-CQQATIJTSA-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