General Information of the Compound
| Compound ID |
CP0133940
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| Compound Name |
4-[(Z)-1-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;hydrochloride
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| Structure |
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| Formula |
C28H34ClNO3
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| Molecular Weight |
468.037
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| Canonical SMILES |
Cl.CN(C)CCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
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| InChI |
InChI=1S/C28H33NO3.ClH/c1-29(2)19-7-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-20-30)22-8-4-3-5-9-22;/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3;1H/b28-27-;
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| InChIKey |
KHWRCGMWGDVSMK-LXCLTORNSA-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