General Information of the Compound
| Compound ID |
CP0133229
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| Compound Name |
4-ethyl-5-[2-[4-[2-[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 |
CCc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
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| InChI |
InChI=1S/C25H28N6O3/c1-2-21-19(5-8-22-23(21)16-34-25(22)33)9-10-29-11-13-30(14-12-29)24(32)15-18-3-6-20(7-4-18)31-17-26-27-28-31/h3-8,17H,2,9-16H2,1H3
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| InChIKey |
IYRVOWQOFDXLSK-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