General Information of the Compound
| Compound ID |
CP0514393
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| Compound Name |
2-(4-(5-chloropyrimidin-4-yl)piperazin-1-yl)-6-(trifluoromethyl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C16H14ClF3N6
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| Molecular Weight |
382.777
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| Canonical SMILES |
FC(F)(F)c1ccc2nc([nH]c2c1)N1CCN(CC1)c1ncncc1Cl
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| InChI |
InChI=1S/C16H14ClF3N6/c17-11-8-21-9-22-14(11)25-3-5-26(6-4-25)15-23-12-2-1-10(16(18,19)20)7-13(12)24-15/h1-2,7-9H,3-6H2,(H,23,24)
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| InChIKey |
RAIKWNSIBLSTAE-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