General Information of the Compound
| Compound ID |
CP0062789
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| Compound Name |
3-Methoxy-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-benzamide
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| Structure |
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| Formula |
C21H27N3O3
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| Molecular Weight |
369.465
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| Canonical SMILES |
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C21H27N3O3/c1-26-18-7-5-6-17(16-18)21(25)22-10-11-23-12-14-24(15-13-23)19-8-3-4-9-20(19)27-2/h3-9,16H,10-15H2,1-2H3,(H,22,25)
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| InChIKey |
LXCQKNOPMINDBU-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