General Information of the Compound
| Compound ID |
CP0002499
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| Compound Name |
3,3,3-trifluoro-1-[4-[[2-[[6-(3-methyl-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 |
C23H23F3N8O2
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| Molecular Weight |
500.485
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| Canonical SMILES |
Cc1noc(n1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
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| InChI |
InChI=1S/C23H23F3N8O2/c1-14-28-21(36-32-14)16-2-3-17-18(11-16)30-22(29-17)31-19-10-15(4-5-27-19)13-33-6-8-34(9-7-33)20(35)12-23(24,25)26/h2-5,10-11H,6-9,12-13H2,1H3,(H2,27,29,30,31)
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| InChIKey |
UOPCRSIUYMGQCP-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