General Information of the Compound
| Compound ID |
CP0555534
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| Compound Name |
ethyl 3-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]benzoate
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| Formula |
C22H28N2O2
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| Molecular Weight |
352.478
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| Canonical SMILES |
CCOC(=O)c1cccc(c1)-c1ccc(cc1)C(C)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H28N2O2/c1-4-26-22(25)21-7-5-6-20(16-21)19-10-8-18(9-11-19)17(2)24-14-12-23(3)13-15-24/h5-11,16-17H,4,12-15H2,1-3H3
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| InChIKey |
HSNFCEGJSTTYOA-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