General Information of the Compound
| Compound ID |
CP0550723
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| Compound Name |
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
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| Structure |
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| Formula |
C17H19ClN4O2
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| Molecular Weight |
346.818
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| Canonical SMILES |
C[C@H](N1CCN(CC1=O)c1cn[nH]c(=O)c1Cl)c1ccccc1C
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| InChI |
InChI=1S/C17H19ClN4O2/c1-11-5-3-4-6-13(11)12(2)22-8-7-21(10-15(22)23)14-9-19-20-17(24)16(14)18/h3-6,9,12H,7-8,10H2,1-2H3,(H,20,24)/t12-/m0/s1
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| InChIKey |
GDKGPOWZYWWUSD-LBPRGKRZSA-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