General Information of the Compound
| Compound ID |
CP0377856
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| Compound Name |
4-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-butyramide
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| Structure |
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| Formula |
C27H35ClN4O2
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| Molecular Weight |
483.056
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| Canonical SMILES |
Cc1cccc2n(CCCC3CCN(CCCC(N)=O)CC3)c(COc3ccc(Cl)cc3)nc12
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| InChI |
InChI=1S/C27H35ClN4O2/c1-20-5-2-7-24-27(20)30-26(19-34-23-11-9-22(28)10-12-23)32(24)16-3-6-21-13-17-31(18-14-21)15-4-8-25(29)33/h2,5,7,9-12,21H,3-4,6,8,13-19H2,1H3,(H2,29,33)
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| InChIKey |
XYKCLJBWJSYNCM-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