General Information of the Compound
| Compound ID |
CP0372334
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| Compound Name |
N-[2-(3-methoxyphenyl)ethyl]-2-phenoxy-N-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]acetamide
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| Structure |
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| Formula |
C35H39N3O3
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| Molecular Weight |
549.715
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| Canonical SMILES |
COc1cccc(CCN(Cc2ccccc2-c2ccc(CN3CCNCC3)cc2)C(=O)COc2ccccc2)c1
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| InChI |
InChI=1S/C35H39N3O3/c1-40-33-12-7-8-28(24-33)18-21-38(35(39)27-41-32-10-3-2-4-11-32)26-31-9-5-6-13-34(31)30-16-14-29(15-17-30)25-37-22-19-36-20-23-37/h2-17,24,36H,18-23,25-27H2,1H3
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| InChIKey |
MLLUTAADKDPIIJ-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