General Information of the Compound
| Compound ID |
CP0197679
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| Compound Name |
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5,5-difluoro-2-phenylpent-1-enyl]phenol;hydrochloride
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| Structure |
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| Formula |
C27H30ClF2NO2
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| Molecular Weight |
473.991
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| Canonical SMILES |
Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(O)cc1
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| InChI |
InChI=1S/C27H29F2NO2.ClH/c1-30(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(31)13-9-21)25(16-17-26(28)29)20-6-4-3-5-7-20;/h3-15,26,31H,16-19H2,1-2H3;1H/b27-25-;
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| InChIKey |
IMCXSAAUMHHRFK-WZRSSYQVSA-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