General Information of the Compound
| Compound ID |
CP0042838
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| Compound Name |
1-[4-[2-(1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
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| Structure |
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| Formula |
C23H26N6O2
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| Molecular Weight |
418.501
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| Canonical SMILES |
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3COCc3c2)CC1
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| InChI |
InChI=1S/C23H26N6O2/c30-23(14-18-2-5-22(6-3-18)29-17-24-25-26-29)28-11-9-27(10-12-28)8-7-19-1-4-20-15-31-16-21(20)13-19/h1-6,13,17H,7-12,14-16H2
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| InChIKey |
AAYRYIFNKRSGOF-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