General Information of the Compound
| Compound ID |
CP0487091
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| Compound Name |
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
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| Structure |
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| Formula |
C27H29NO2
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| Molecular Weight |
399.534
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| Canonical SMILES |
CCN(CC)CCOc1ccc(cc1)C#Cc1ccc(cc1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H29NO2/c1-4-28(5-2)20-21-30-27-16-10-23(11-17-27)7-6-22-8-12-24(13-9-22)25-14-18-26(29-3)19-15-25/h8-19H,4-5,20-21H2,1-3H3
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| InChIKey |
GCTBFRORAPGFFH-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