General Information of the Compound
| Compound ID |
CP0330165
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| Compound Name |
1-(2,3-Dihydro-indol-1-yl)-2-[5-(quinolin-8-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
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| Structure |
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| Formula |
C22H18N4O3S
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| Molecular Weight |
418.478
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| Canonical SMILES |
O=C(CSc1nnc(COc2cccc3cccnc23)o1)N1CCc2ccccc12
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| InChI |
InChI=1S/C22H18N4O3S/c27-20(26-12-10-15-5-1-2-8-17(15)26)14-30-22-25-24-19(29-22)13-28-18-9-3-6-16-7-4-11-23-21(16)18/h1-9,11H,10,12-14H2
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| InChIKey |
FCRWFNRBWVZVDN-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: PT06172, Mothers against decapentaplegic homolog 3