General Information of the Compound
| Compound ID |
CP0494633
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| Compound Name |
8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-3-tert-butyl-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 |
C20H20BrN3S
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| Molecular Weight |
414.372
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| Canonical SMILES |
CC(C)(C)c1csc2nc3\C(CCn3c(=N)c12)=C\c1ccccc1Br
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| InChI |
InChI=1S/C20H20BrN3S/c1-20(2,3)14-11-25-19-16(14)17(22)24-9-8-13(18(24)23-19)10-12-6-4-5-7-15(12)21/h4-7,10-11,22H,8-9H2,1-3H3/b13-10+,22-17?
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| InChIKey |
AUHVLVLVAOKAMR-GOPRIXMCSA-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