General Information of the Compound
| Compound ID |
CP0467993
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| Compound Name |
4-[5-chloro-3-(4-methylsulfonylphenyl)imidazol-4-yl]-N,N-diethylaniline
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| Structure |
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| Formula |
C20H22ClN3O2S
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| Molecular Weight |
403.935
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)-c1c(Cl)ncn1-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H22ClN3O2S/c1-4-23(5-2)16-8-6-15(7-9-16)19-20(21)22-14-24(19)17-10-12-18(13-11-17)27(3,25)26/h6-14H,4-5H2,1-3H3
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| InChIKey |
IKKRFZWQNJAIGD-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
Protein ID: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2