General Information of the Compound
| Compound ID |
CP0473633
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| Compound Name |
4-bromo-2-(3-hydroxypropyl)-5-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one
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| Structure |
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| Formula |
C19H25BrN4O2
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| Molecular Weight |
421.339
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| Canonical SMILES |
Cc1ccccc1CN1CCN(CC1)c1cnn(CCCO)c(=O)c1Br
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| InChI |
InChI=1S/C19H25BrN4O2/c1-15-5-2-3-6-16(15)14-22-8-10-23(11-9-22)17-13-21-24(7-4-12-25)19(26)18(17)20/h2-3,5-6,13,25H,4,7-12,14H2,1H3
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| InChIKey |
FKJWTWUZUHEYSG-UHFFFAOYSA-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