General Information of the Compound
| Compound ID |
CP0455523
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| Compound Name |
2-(4-methylpiperazin-1-yl)-1-(2,4,6-trimethoxyphenyl)ethanone
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| Structure |
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| Formula |
C16H24N2O4
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| Molecular Weight |
308.378
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| Canonical SMILES |
COc1cc(OC)c(C(=O)CN2CCN(C)CC2)c(OC)c1
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| InChI |
InChI=1S/C16H24N2O4/c1-17-5-7-18(8-6-17)11-13(19)16-14(21-3)9-12(20-2)10-15(16)22-4/h9-10H,5-8,11H2,1-4H3
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| InChIKey |
NVFJMZWXZBJPQN-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