General Information of the Compound
| Compound ID |
CP0402284
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| Compound Name |
5-bromo-4-[3-[(2-methylphenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C18H21BrN4O
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| Molecular Weight |
389.297
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| Canonical SMILES |
Cc1ccccc1CN1CC2CCC(C1)N2c1cn[nH]c(=O)c1Br
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| InChI |
InChI=1S/C18H21BrN4O/c1-12-4-2-3-5-13(12)9-22-10-14-6-7-15(11-22)23(14)16-8-20-21-18(24)17(16)19/h2-5,8,14-15H,6-7,9-11H2,1H3,(H,21,24)
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| InChIKey |
UQVTXBFMIFSODD-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