General Information of the Compound
| Compound ID |
CP0406175
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| Compound Name |
N-[4-[[4-(5,7-dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C24H27N3O5
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| Molecular Weight |
437.496
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| Canonical SMILES |
COc1cc(OC)c2c(c1)oc(cc2=O)N1CCN(Cc2ccc(NC(C)=O)cc2)CC1
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| InChI |
InChI=1S/C24H27N3O5/c1-16(28)25-18-6-4-17(5-7-18)15-26-8-10-27(11-9-26)23-14-20(29)24-21(31-3)12-19(30-2)13-22(24)32-23/h4-7,12-14H,8-11,15H2,1-3H3,(H,25,28)
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| InChIKey |
OTCCIIOJVMHTQZ-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