General Information of the Compound
| Compound ID |
CP0474080
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| Compound Name |
[1,3-dimethyl-5-[2-(trifluoromethyl)phenoxy]pyrazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C23H23F3N4O2
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| Molecular Weight |
444.457
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| Canonical SMILES |
Cc1nn(C)c(Oc2ccccc2C(F)(F)F)c1C(=O)N1CCCCC1c1cccnc1
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| InChI |
InChI=1S/C23H23F3N4O2/c1-15-20(21(31)30-13-6-5-10-18(30)16-8-7-12-27-14-16)22(29(2)28-15)32-19-11-4-3-9-17(19)23(24,25)26/h3-4,7-9,11-12,14,18H,5-6,10,13H2,1-2H3
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| InChIKey |
DQWNTGMOUIJOAL-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