General Information of the Compound
| Compound ID |
CP0437713
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| Compound Name |
5-bromo-4-[2-[(2-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C19H23BrN4O
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| Molecular Weight |
403.324
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| Canonical SMILES |
Cc1ccccc1CN1CC2(C1)CCN(CC2)c1cn[nH]c(=O)c1Br
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| InChI |
InChI=1S/C19H23BrN4O/c1-14-4-2-3-5-15(14)11-23-12-19(13-23)6-8-24(9-7-19)16-10-21-22-18(25)17(16)20/h2-5,10H,6-9,11-13H2,1H3,(H,22,25)
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| InChIKey |
PXOOHBWWMRGDPC-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