General Information of the Compound
| Compound ID |
CP0429954
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| Compound Name |
6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-piperazin-1-yl-4-(4-propan-2-ylpyrimidin-5-yl)benzimidazole
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| Structure |
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| Formula |
C27H30ClFN6
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| Molecular Weight |
493.03
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| Canonical SMILES |
CC(C)c1ncncc1-c1cc(Cl)cc2n(Cc3cc(C)c(F)c(C)c3)c(nc12)N1CCNCC1
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| InChI |
InChI=1S/C27H30ClFN6/c1-16(2)25-22(13-31-15-32-25)21-11-20(28)12-23-26(21)33-27(34-7-5-30-6-8-34)35(23)14-19-9-17(3)24(29)18(4)10-19/h9-13,15-16,30H,5-8,14H2,1-4H3
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| InChIKey |
SZNYIZKTQHYZRL-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