General Information of the Compound
| Compound ID |
CP0823169
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| Compound Name |
2-(2-(5-bromo-2-(4-chlorobenzyloxy)benzylidene)hydrazinyl)-1,4,5,6-tetrahydropyrimidine
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| Structure |
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| Formula |
C18H18BrClN4O
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| Molecular Weight |
421.726
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| Canonical SMILES |
Clc1ccc(COc2ccc(Br)cc2/C=N/NC2=NCCCN2)cc1
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| InChI |
InChI=1S/C18H18BrClN4O/c19-15-4-7-17(25-12-13-2-5-16(20)6-3-13)14(10-15)11-23-24-18-21-8-1-9-22-18/h2-7,10-11H,1,8-9,12H2,(H2,21,22,24)/b23-11+
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| InChIKey |
VETHFKMPZFBLAN-FOKLQQMPSA-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