General Information of the Compound
| Compound ID |
CP0084615
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| Compound Name |
5-[2-[4-[2-[2-methyl-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 |
C24H26N6O3
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| Molecular Weight |
446.511
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| Canonical SMILES |
Cc1cc(ccc1CC(=O)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1)-n1cnnn1
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| InChI |
InChI=1S/C24H26N6O3/c1-17-12-21(30-16-25-26-27-30)4-3-19(17)14-23(31)29-10-8-28(9-11-29)7-6-18-2-5-22-20(13-18)15-33-24(22)32/h2-5,12-13,16H,6-11,14-15H2,1H3
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| InChIKey |
SDGVLWXHBWHIQR-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