General Information of the Compound
| Compound ID |
CP0448408
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| Compound Name |
3-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-1-phenyl-propan-1-one
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| Structure |
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| Formula |
C39H50N4O3
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| Molecular Weight |
622.854
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| Canonical SMILES |
O=C(CCN1CCC(CCCn2c(COc3ccccc3)nc3c(OCCCN4CCCCC4)cccc23)CC1)c1ccccc1
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| InChI |
InChI=1S/C39H50N4O3/c44-36(33-14-4-1-5-15-33)22-29-42-27-20-32(21-28-42)13-11-26-43-35-18-10-19-37(45-30-12-25-41-23-8-3-9-24-41)39(35)40-38(43)31-46-34-16-6-2-7-17-34/h1-2,4-7,10,14-19,32H,3,8-9,11-13,20-31H2
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| InChIKey |
JKLHZMSMCPAPNY-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