General Information of the Compound
| Compound ID |
CP0344043
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| Compound Name |
(E)-5-(3-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)\c1cccc(Br)c1
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| InChI |
InChI=1S/C30H35BrN2O.2ClH/c1-23(2)32-17-19-33(20-18-32)28-15-13-25(14-16-28)30(26-10-6-11-27(31)22-26)29(12-7-21-34)24-8-4-3-5-9-24;;/h3-6,8-11,13-16,22-23,34H,7,12,17-21H2,1-2H3;2*1H/b30-29+;;
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| InChIKey |
KPQYMNKDNXTZGP-NFOZGECASA-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