General Information of the Compound
| Compound ID |
CP0460478
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| Compound Name |
4-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-1-piperidin-1-yl-butan-1-one
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| Structure |
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| Formula |
C32H43ClN4O2
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| Molecular Weight |
551.175
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| Canonical SMILES |
Cc1cccc2n(CCCC3CCN(CCCC(=O)N4CCCCC4)CC3)c(COc3ccc(Cl)cc3)nc12
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| InChI |
InChI=1S/C32H43ClN4O2/c1-25-8-5-10-29-32(25)34-30(24-39-28-14-12-27(33)13-15-28)37(29)21-6-9-26-16-22-35(23-17-26)18-7-11-31(38)36-19-3-2-4-20-36/h5,8,10,12-15,26H,2-4,6-7,9,11,16-24H2,1H3
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| InChIKey |
UDFQNKWLOCRQMR-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