General Information of the Compound
| Compound ID |
CP0437801
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| Compound Name |
N,N-dimethyl-2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)but-1-enyl]phenoxy]ethanamine
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| Structure |
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| Formula |
C33H35NO2
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| Molecular Weight |
477.648
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| Canonical SMILES |
CC\C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1
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| InChI |
InChI=1S/C33H35NO2/c1-4-32(27-13-9-6-10-14-27)33(28-15-19-30(20-16-28)35-24-23-34(2)3)29-17-21-31(22-18-29)36-25-26-11-7-5-8-12-26/h5-22H,4,23-25H2,1-3H3/b33-32+
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| InChIKey |
JUFZNHUSCGNSBE-ULIFNZDWSA-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