General Information of the Compound
| Compound ID |
CP0316921
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| Compound Name |
4-[(Z)-5-hydroxy-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylpent-1-enyl]phenol;hydrochloride
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| Structure |
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| Formula |
C26H30ClNO3
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| Molecular Weight |
439.983
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| Canonical SMILES |
Cl.CNCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
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| InChI |
InChI=1S/C26H29NO3.ClH/c1-27-17-19-30-24-15-11-22(12-16-24)26(21-9-13-23(29)14-10-21)25(8-5-18-28)20-6-3-2-4-7-20;/h2-4,6-7,9-16,27-29H,5,8,17-19H2,1H3;1H/b26-25-;
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| InChIKey |
IHDFRYVHRNBUGT-OQKDUQJOSA-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