General Information of the Compound
| Compound ID |
CP0487159
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| Compound Name |
8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-7,8-dihydro-6H-pyrrolo[1,2-a]thieno[2,3-d]pyrimidin-(4Z)-ylideneamine
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| Structure |
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| Formula |
C16H12BrN3S
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| Molecular Weight |
358.264
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| Canonical SMILES |
Brc1ccccc1\C=C1/CCn2c1nc1sccc1c2=N
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| InChI |
InChI=1S/C16H12BrN3S/c17-13-4-2-1-3-10(13)9-11-5-7-20-14(18)12-6-8-21-16(12)19-15(11)20/h1-4,6,8-9,18H,5,7H2/b11-9+,18-14?
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| InChIKey |
FANFUDBBDAWKMK-LHWQALLBSA-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