General Information of the Compound
| Compound ID |
CP0351092
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| Compound Name |
5-[2-[4-[2-[3-fluoro-4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C23H23FN6O3
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| Molecular Weight |
450.474
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| Canonical SMILES |
Fc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
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| InChI |
InChI=1S/C23H23FN6O3/c24-20-12-17(2-4-21(20)30-15-25-26-27-30)13-22(31)29-9-7-28(8-10-29)6-5-16-1-3-19-18(11-16)14-33-23(19)32/h1-4,11-12,15H,5-10,13-14H2
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| InChIKey |
QWNYBZNKNGRQMW-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