General Information of the Compound
| Compound ID |
CP0060959
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| Compound Name |
(Z)-5-(4-methylphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpent-4-en-1-ol;dihydrochloride
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| Structure |
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| Formula |
C29H36Cl2N2O
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| Molecular Weight |
499.526
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| Canonical SMILES |
Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
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| InChI |
InChI=1S/C29H34N2O.2ClH/c1-23-10-12-25(13-11-23)29(28(9-6-22-32)24-7-4-3-5-8-24)26-14-16-27(17-15-26)31-20-18-30(2)19-21-31;;/h3-5,7-8,10-17,32H,6,9,18-22H2,1-2H3;2*1H/b29-28-;;
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| InChIKey |
AYCXSBPYUFARSN-XLLSWMRESA-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