General Information of the Compound
| Compound ID |
CP0461247
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| Compound Name |
4-bromo-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C18H14BrF6N5
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| Molecular Weight |
494.237
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| Canonical SMILES |
FC(F)(F)c1cc(Br)c2nc([nH]c2c1)N1CCN(CC1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C18H14BrF6N5/c19-12-8-10(17(20,21)22)9-13-14(12)28-16(27-13)30-6-4-29(5-7-30)15-11(18(23,24)25)2-1-3-26-15/h1-3,8-9H,4-7H2,(H,27,28)
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| InChIKey |
VMJVHFCACDSBJP-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