General Information of the Compound
| Compound ID |
CP0060960
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| Compound Name |
(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol;dihydrochloride
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| Structure |
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| Formula |
C28H34Cl2N2O
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| Molecular Weight |
485.499
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| Canonical SMILES |
Cl.Cl.Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C28H32N2O.2ClH/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30;;/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3;2*1H/b28-27-;;
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| InChIKey |
QEMNXXNSEDHDDD-XRKMDJMPSA-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