General Information of the Compound
| Compound ID |
CP0284963
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]acetamide
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| Structure |
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| Formula |
C23H23F3N6O3
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| Molecular Weight |
488.47
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| Canonical SMILES |
FC(F)(F)c1cc(nc(n1)-n1ccnc1)N1CCCCC1CC(=O)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H23F3N6O3/c24-23(25,26)19-11-20(30-22(29-19)31-8-6-27-13-31)32-7-2-1-3-16(32)10-21(33)28-12-15-4-5-17-18(9-15)35-14-34-17/h4-6,8-9,11,13,16H,1-3,7,10,12,14H2,(H,28,33)
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| InChIKey |
JDDBNIXQWYFIPL-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