General Information of the Compound
| Compound ID |
CP0572858
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| Compound Name |
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
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| Structure |
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| Formula |
C19H24N4O2
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| Molecular Weight |
340.427
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| Canonical SMILES |
CC(C)c1c(cn[nH]c1=O)N1CCN(Cc2ccccc2C)C(=O)C1
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| InChI |
InChI=1S/C19H24N4O2/c1-13(2)18-16(10-20-21-19(18)25)22-8-9-23(17(24)12-22)11-15-7-5-4-6-14(15)3/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,21,25)
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| InChIKey |
MMBVEHUVPBRIEU-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