General Information of the Compound
| Compound ID |
CP0187192
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| Compound Name |
1-[5-bromo-2-(4-chloro-benzyloxy)-benzyl]-4-(4-hydroxy-piperidin-1-ylmethyl)-piperidin-4-ol
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| Structure |
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| Formula |
C25H32BrClN2O3
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| Molecular Weight |
523.899
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| Canonical SMILES |
OC1CCN(CC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)CC1
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| InChI |
InChI=1S/C25H32BrClN2O3/c26-21-3-6-24(32-17-19-1-4-22(27)5-2-19)20(15-21)16-28-13-9-25(31,10-14-28)18-29-11-7-23(30)8-12-29/h1-6,15,23,30-31H,7-14,16-18H2
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| InChIKey |
HATILNDJUSATOS-UHFFFAOYSA-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