General Information of the Compound
| Compound ID |
CP0447037
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| Compound Name |
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-1-(4-methyl-1-piperazinyl)ethanone
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| Structure |
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| Formula |
C20H21N3O2S
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| Molecular Weight |
367.474
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| Canonical SMILES |
CN1CCN(CC1)C(=O)COc1ccc(cc1)-c1nc2ccccc2s1
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| InChI |
InChI=1S/C20H21N3O2S/c1-22-10-12-23(13-11-22)19(24)14-25-16-8-6-15(7-9-16)20-21-17-4-2-3-5-18(17)26-20/h2-9H,10-14H2,1H3
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| InChIKey |
NYXUKPHUZOEPNR-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1