General Information of the Compound
| Compound ID |
CP0399241
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| Compound Name |
3-ethoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C27H31N3O2
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| Molecular Weight |
429.564
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| Canonical SMILES |
CCOc1cccc(c1)C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
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| InChI |
InChI=1S/C27H31N3O2/c1-2-32-26-11-5-10-25(18-26)27(31)29-19-21-6-3-8-23(16-21)24-9-4-7-22(17-24)20-30-14-12-28-13-15-30/h3-11,16-18,28H,2,12-15,19-20H2,1H3,(H,29,31)
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| InChIKey |
XETAJRIWKUYYBW-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