General Information of the Compound
| Compound ID |
CP0549696
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| Compound Name |
5-chloro-4-[4-[(2-chlorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C15H14Cl2N4O2
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| Molecular Weight |
353.209
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| Canonical SMILES |
Clc1ccccc1CN1CCN(CC1=O)c1cn[nH]c(=O)c1Cl
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| InChI |
InChI=1S/C15H14Cl2N4O2/c16-11-4-2-1-3-10(11)8-21-6-5-20(9-13(21)22)12-7-18-19-15(23)14(12)17/h1-4,7H,5-6,8-9H2,(H,19,23)
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| InChIKey |
JKMGXFAXTFJRJW-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