General Information of the Compound
| Compound ID |
CP0536297
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| Compound Name |
(E)-5-(4-bromophenyl)-4-phenyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-4-en-1-ol;dihydrochloride
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| Structure |
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| Formula |
C30H37BrCl2N2O
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| Molecular Weight |
592.449
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| Canonical SMILES |
Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
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| InChI |
InChI=1S/C30H35BrN2O.2ClH/c1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24;;/h3-5,7-8,10-17,23,34H,6,9,18-22H2,1-2H3;2*1H/b30-29-;;
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| InChIKey |
KQOSLTWWFIOWBQ-JYOLQUMFSA-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