General Information of the Compound
| Compound ID |
CP0510832
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| Compound Name |
1-(4-fluorobenzyl)-N-(1-((1,4-dimethoxynaphthalen-2-yl)methyl)piperidin-4-yl)-1H-benzo[d]imidazol-2-amine
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| Structure |
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| Formula |
C32H33FN4O2
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| Molecular Weight |
524.64
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| Canonical SMILES |
COc1cc(CN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)c(OC)c2ccccc12
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| InChI |
InChI=1S/C32H33FN4O2/c1-38-30-19-23(31(39-2)27-8-4-3-7-26(27)30)21-36-17-15-25(16-18-36)34-32-35-28-9-5-6-10-29(28)37(32)20-22-11-13-24(33)14-12-22/h3-14,19,25H,15-18,20-21H2,1-2H3,(H,34,35)
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| InChIKey |
BCHRCFZHJDSRAB-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