General Information of the Compound
| Compound ID |
CP0522406
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| Compound Name |
2-(3-methoxyphenyl)-N-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]ethanamine
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| Structure |
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| Formula |
C27H33N3O
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| Molecular Weight |
415.581
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| Canonical SMILES |
COc1cccc(CCNCc2ccccc2-c2ccc(CN3CCNCC3)cc2)c1
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| InChI |
InChI=1S/C27H33N3O/c1-31-26-7-4-5-22(19-26)13-14-29-20-25-6-2-3-8-27(25)24-11-9-23(10-12-24)21-30-17-15-28-16-18-30/h2-12,19,28-29H,13-18,20-21H2,1H3
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| InChIKey |
CJILLDRFVHJQRA-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