General Information of the Compound
| Compound ID |
CP0572857
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| Compound Name |
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
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| Structure |
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| Formula |
C17H17F3N4O2
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| Molecular Weight |
366.343
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| Canonical SMILES |
Cc1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1C(F)(F)F
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| InChI |
InChI=1S/C17H17F3N4O2/c1-11-4-2-3-5-12(11)9-24-7-6-23(10-14(24)25)13-8-21-22-16(26)15(13)17(18,19)20/h2-5,8H,6-7,9-10H2,1H3,(H,22,26)
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| InChIKey |
SITBYORMKVGZGI-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