General Information of the Compound
| Compound ID |
CP0213669
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| Compound Name |
1-(3-Methoxy-phenyl)-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butan-1-one
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| Structure |
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| Formula |
C22H28N2O3
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| Molecular Weight |
368.477
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| Canonical SMILES |
COc1cccc(c1)C(=O)CCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C22H28N2O3/c1-26-19-8-5-7-18(17-19)21(25)10-6-12-23-13-15-24(16-14-23)20-9-3-4-11-22(20)27-2/h3-5,7-9,11,17H,6,10,12-16H2,1-2H3
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| InChIKey |
XGXUWJSIDSMGFX-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