General Information of the Compound
| Compound ID |
CP0538506
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| Compound Name |
5,7-dimethoxy-2-[4-(4-nitrobenzoyl)piperazin-1-yl]chromen-4-one
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| Structure |
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| Formula |
C22H21N3O7
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| Molecular Weight |
439.424
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H21N3O7/c1-30-16-11-18(31-2)21-17(26)13-20(32-19(21)12-16)23-7-9-24(10-8-23)22(27)14-3-5-15(6-4-14)25(28)29/h3-6,11-13H,7-10H2,1-2H3
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| InChIKey |
QEWLVXIBEWJZFA-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