General Information of the Compound
| Compound ID |
CP0366642
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| Compound Name |
5-[2-oxo-2-[4-[2-(1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazin-1-yl]ethyl]-2-(tetrazol-1-yl)benzonitrile
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| Structure |
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| Formula |
C24H23N7O3
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| Molecular Weight |
457.494
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| Canonical SMILES |
O=C(Cc1ccc(c(c1)C#N)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
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| InChI |
InChI=1S/C24H23N7O3/c25-14-19-12-18(2-4-22(19)31-16-26-27-28-31)13-23(32)30-9-7-29(8-10-30)6-5-17-1-3-21-20(11-17)15-34-24(21)33/h1-4,11-12,16H,5-10,13,15H2
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| InChIKey |
DSUIUPVDQGPVGT-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