General Information of the Compound
| Compound ID |
CP0368637
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| Compound Name |
4-methoxy-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 |
C24H26N6O4
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| Molecular Weight |
462.51
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| Canonical SMILES |
COc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cnnn1
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| InChI |
InChI=1S/C24H26N6O4/c1-33-23-18(4-7-20-21(23)15-34-24(20)32)8-9-28-10-12-29(13-11-28)22(31)14-17-2-5-19(6-3-17)30-16-25-26-27-30/h2-7,16H,8-15H2,1H3
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| InChIKey |
HPFQZAZYDYBLPR-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