General Information of the Compound
| Compound ID |
CP0069162
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| Compound Name |
N-methyl-N'-phenyl-N'-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethane-1,2-diamine
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| Structure |
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| Formula |
C21H29N3O
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| Molecular Weight |
339.483
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| Canonical SMILES |
CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C21H29N3O/c1-22-13-16-24(19-7-3-2-4-8-19)20-9-11-21(12-10-20)25-18-17-23-14-5-6-15-23/h2-4,7-12,22H,5-6,13-18H2,1H3
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| InChIKey |
LBBBRPSDINTRFT-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