General Information of the Compound
| Compound ID |
CP0572856
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| Compound Name |
5-chloro-4-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C16H13ClF4N4O2
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| Molecular Weight |
404.751
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| Canonical SMILES |
Fc1ccc(CN2CCN(CC2=O)c2cn[nH]c(=O)c2Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C16H13ClF4N4O2/c17-14-12(6-22-23-15(14)27)24-3-4-25(13(26)8-24)7-9-1-2-10(18)5-11(9)16(19,20)21/h1-2,5-6H,3-4,7-8H2,(H,23,27)
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| InChIKey |
PPGTXNCAMZXQKT-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