General Information of the Compound
| Compound ID |
CP0132048
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| Compound Name |
4-[(Z)-1-[4-[2-(diethylamino)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;hydrochloride
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| Structure |
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| Formula |
C29H36ClNO3
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| Molecular Weight |
482.064
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| Canonical SMILES |
Cl.CCN(CC)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
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| InChI |
InChI=1S/C29H35NO3.ClH/c1-3-30(4-2)20-22-33-27-18-14-25(15-19-27)29(24-12-16-26(32)17-13-24)28(11-8-21-31)23-9-6-5-7-10-23;/h5-7,9-10,12-19,31-32H,3-4,8,11,20-22H2,1-2H3;1H/b29-28-;
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| InChIKey |
AGDKCEPOEPTHOT-FJBFXRHMSA-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