General Information of the Compound
| Compound ID |
CP0406174
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| Compound Name |
5,7-dimethoxy-2-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]chromen-4-one
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| Structure |
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| Formula |
C23H26N2O6S
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| Molecular Weight |
458.536
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(cc2)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C23H26N2O6S/c1-29-17-12-20(30-2)23-19(26)14-22(31-21(23)13-17)25-10-8-24(9-11-25)15-16-4-6-18(7-5-16)32(3,27)28/h4-7,12-14H,8-11,15H2,1-3H3
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| InChIKey |
WIAJBNUCKPWNOB-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