General Information of the Compound
| Compound ID |
CP0523886
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| Compound Name |
2-Phenoxymethyl-1-{3-[1-((Z)-3-phenyl-allyl)-piperidin-4-yl]-propyl}-4-(3-piperidin-1-yl-propoxy)-1H-benzoimidazole
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| Structure |
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| Formula |
C39H50N4O2
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| Molecular Weight |
606.855
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| Canonical SMILES |
C(COc1cccc2n(CCCC3CCN(C\C=C/c4ccccc4)CC3)c(COc3ccccc3)nc12)CN1CCCCC1
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| InChI |
InChI=1S/C39H50N4O2/c1-4-14-33(15-5-1)16-11-26-42-29-22-34(23-30-42)17-12-28-43-36-20-10-21-37(44-31-13-27-41-24-8-3-9-25-41)39(36)40-38(43)32-45-35-18-6-2-7-19-35/h1-2,4-7,10-11,14-16,18-21,34H,3,8-9,12-13,17,22-32H2/b16-11-
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| InChIKey |
DSKZBOZPIWASID-WJDWOHSUSA-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