General Information of the Compound
| Compound ID |
CP0351091
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| Compound Name |
5-[2-[4-[2-[4-(tetrazol-1-yl)-2-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C24H23F3N6O3
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| Molecular Weight |
500.481
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1)-n1cnnn1
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| InChI |
InChI=1S/C24H23F3N6O3/c25-24(26,27)21-13-19(33-15-28-29-30-33)3-2-17(21)12-22(34)32-9-7-31(8-10-32)6-5-16-1-4-20-18(11-16)14-36-23(20)35/h1-4,11,13,15H,5-10,12,14H2
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| InChIKey |
WDEOCFLEVBXBHE-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