General Information of the Compound
| Compound ID |
CP0131412
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| Compound Name |
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol;hydrochloride
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| Structure |
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| Formula |
C27H31ClFNO2
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| Molecular Weight |
456.001
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| Canonical SMILES |
Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
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| InChI |
InChI=1S/C27H30FNO2.ClH/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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| InChIKey |
KXTIGEUSLGAAHZ-JTHROIFXSA-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