General Information of the Compound
| Compound ID |
CP0565756
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| Compound Name |
diethyl-[2-[3-(2-methoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylazanium
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| Structure |
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| Formula |
C18H28N3O2+
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| Molecular Weight |
318.441
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| Canonical SMILES |
CC[N+](C)(CC)CC(=O)N1N=C(C)CC1c1ccccc1OC
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| InChI |
InChI=1S/C18H28N3O2/c1-6-21(4,7-2)13-18(22)20-16(12-14(3)19-20)15-10-8-9-11-17(15)23-5/h8-11,16H,6-7,12-13H2,1-5H3/q+1
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| InChIKey |
BEYLERFLLLMFBO-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