General Information of the Compound
| Compound ID |
CP0432576
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| Compound Name |
1-(4-{3-[2-(4-Chloro-phenoxymethyl)-4-methyl-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-3-piperidin-1-yl-propan-1-one
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| Structure |
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| Formula |
C31H41ClN4O2
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| Molecular Weight |
537.148
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| Canonical SMILES |
Cc1cccc2n(CCCC3CCN(CC3)C(=O)CCN3CCCCC3)c(COc3ccc(Cl)cc3)nc12
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| InChI |
InChI=1S/C31H41ClN4O2/c1-24-7-5-9-28-31(24)33-29(23-38-27-12-10-26(32)11-13-27)36(28)19-6-8-25-14-21-35(22-15-25)30(37)16-20-34-17-3-2-4-18-34/h5,7,9-13,25H,2-4,6,8,14-23H2,1H3
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| InChIKey |
RHXUHKXGDLYHEX-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