General Information of the Compound
| Compound ID |
CP0432804
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| Compound Name |
(E)-1-(3-iodoallyl)-4-(4-phenylpiperazin-1-yl)piperidin-3-ol
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| Structure |
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| Formula |
C18H26IN3O
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| Molecular Weight |
427.33
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| Canonical SMILES |
OC1CN(C\C=C\I)CCC1N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C18H26IN3O/c19-8-4-9-20-10-7-17(18(23)15-20)22-13-11-21(12-14-22)16-5-2-1-3-6-16/h1-6,8,17-18,23H,7,9-15H2/b8-4+
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| InChIKey |
QDZXXVVYAHDLFU-XBXARRHUSA-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