General Information of the Compound
| Compound ID |
CP0522477
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| Compound Name |
8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-2,3-dimethyl-7,8-dihydro-6H-furo[2,3-d]pyrrolo[1,2-a]pyrimidin-(4Z)-ylideneamine
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| Structure |
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| Formula |
C18H16BrN3O
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| Molecular Weight |
370.25
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| Canonical SMILES |
Cc1oc2nc3\C(CCn3c(=N)c2c1C)=C\c1ccccc1Br
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| InChI |
InChI=1S/C18H16BrN3O/c1-10-11(2)23-18-15(10)16(20)22-8-7-13(17(22)21-18)9-12-5-3-4-6-14(12)19/h3-6,9,20H,7-8H2,1-2H3/b13-9+,20-16?
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| InChIKey |
CWBKUDPULVEBPI-ILUQACKLSA-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