General Information of the Compound
| Compound ID |
CP0289268
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| Compound Name |
N-methyl-N'-phenyl-N'-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propane-1,3-diamine
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| Structure |
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| Formula |
C22H31N3O
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| Molecular Weight |
353.51
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| Canonical SMILES |
CNCCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C22H31N3O/c1-23-14-7-17-25(20-8-3-2-4-9-20)21-10-12-22(13-11-21)26-19-18-24-15-5-6-16-24/h2-4,8-13,23H,5-7,14-19H2,1H3
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| InChIKey |
XNCBCWQLSZMOOC-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