General Information of the Compound
| Compound ID |
CP0553698
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| Compound Name |
1-(4-(3-((2R,5R)-2,5-dimethylpyrrolidin-1-yl)propoxy)phenyl)-5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole
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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 |
C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-n1c(nc2cc(F)ccc12)-c1ccccn1
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| InChI |
InChI=1S/C27H29FN4O/c1-19-7-8-20(2)31(19)16-5-17-33-23-12-10-22(11-13-23)32-26-14-9-21(28)18-25(26)30-27(32)24-6-3-4-15-29-24/h3-4,6,9-15,18-20H,5,7-8,16-17H2,1-2H3/t19-,20-/m1/s1
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| InChIKey |
OLAAQSCYHCAGCO-WOJBJXKFSA-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