General Information of the Compound
| Compound ID |
CP0274992
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| Compound Name |
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-2-piperidineacetamide
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| Structure |
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| Formula |
C22H23F3N6O2
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| Molecular Weight |
460.46
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1
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| InChI |
InChI=1S/C22H23F3N6O2/c23-22(24,25)33-18-6-4-16(5-7-18)14-28-20(32)13-17-3-1-2-11-31(17)19-8-9-27-21(29-19)30-12-10-26-15-30/h4-10,12,15,17H,1-3,11,13-14H2,(H,28,32)
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| InChIKey |
MPMCKFDENKJOQC-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