General Information of the Compound
| Compound ID |
CP0467228
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| Compound Name |
1-(4-fluorobenzyl)-N-(1-(4-methoxybenzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2-amine
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| Structure |
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| Formula |
C27H29FN4O
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| Molecular Weight |
444.554
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| Canonical SMILES |
COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C27H29FN4O/c1-33-24-12-8-20(9-13-24)18-31-16-14-23(15-17-31)29-27-30-25-4-2-3-5-26(25)32(27)19-21-6-10-22(28)11-7-21/h2-13,23H,14-19H2,1H3,(H,29,30)
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| InChIKey |
XCZZAQJAATWEHZ-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