General Information of the Compound
| Compound ID |
CP0012258
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| Compound Name |
3,3,3-trifluoro-1-[4-[[2-[[6-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]methyl]piperazin-1-yl]propan-1-one
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| Structure |
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| Formula |
C26H29F3N8O2
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| Molecular Weight |
542.566
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| Canonical SMILES |
CC(C)Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
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| InChI |
InChI=1S/C26H29F3N8O2/c1-16(2)11-22-33-24(39-35-22)18-3-4-19-20(13-18)32-25(31-19)34-21-12-17(5-6-30-21)15-36-7-9-37(10-8-36)23(38)14-26(27,28)29/h3-6,12-13,16H,7-11,14-15H2,1-2H3,(H2,30,31,32,34)
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| InChIKey |
UDQFLASTRAMKLW-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