General Information of the Compound
| Compound ID |
CP0555717
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| Compound Name |
7-Phenyl-1-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)-heptan-1-one
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| Structure |
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| Formula |
C19H20N2O2S
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| Molecular Weight |
340.448
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| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1nc(no1)-c1cccs1
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| InChI |
InChI=1S/C19H20N2O2S/c22-16(19-20-18(21-23-19)17-13-8-14-24-17)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2
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| InChIKey |
RPHDPAIHZVJLBG-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