General Information of the Compound
| Compound ID |
CP0069559
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| Compound Name |
5-[2-[4-[2-[3-ethyl-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 |
C25H28N6O3
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| Molecular Weight |
460.538
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| Canonical SMILES |
CCc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3)CC2)ccc1-n1cnnn1
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| InChI |
InChI=1S/C25H28N6O3/c1-2-20-14-19(4-6-23(20)31-17-26-27-28-31)15-24(32)30-11-9-29(10-12-30)8-7-18-3-5-22-21(13-18)16-34-25(22)33/h3-6,13-14,17H,2,7-12,15-16H2,1H3
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| InChIKey |
NSLWZIQYSTWTRW-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