General Information of the Compound
| Compound ID |
CP0466026
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| Compound Name |
2-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-1-piperidin-1-yl-ethanone
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| Structure |
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| Formula |
C30H39ClN4O2
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| Molecular Weight |
523.121
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| Canonical SMILES |
Cc1cccc2n(CCCC3CCN(CC(=O)N4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
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| InChI |
InChI=1S/C30H39ClN4O2/c1-23-7-5-9-27-30(23)32-28(22-37-26-12-10-25(31)11-13-26)35(27)18-6-8-24-14-19-33(20-15-24)21-29(36)34-16-3-2-4-17-34/h5,7,9-13,24H,2-4,6,8,14-22H2,1H3
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| InChIKey |
QMADDIHSCBGERQ-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