General Information of the Compound
| Compound ID |
CP0493632
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| Compound Name |
4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
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| Structure |
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| Formula |
C15H13ClF2N4O
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| Molecular Weight |
338.745
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| Canonical SMILES |
Cn1cc(Cn2cc(cn2)-c2ccc(Cl)c(OC(F)F)c2)cn1
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| InChI |
InChI=1S/C15H13ClF2N4O/c1-21-7-10(5-19-21)8-22-9-12(6-20-22)11-2-3-13(16)14(4-11)23-15(17)18/h2-7,9,15H,8H2,1H3
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| InChIKey |
TYWLMLPPMXWFPX-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
Protein ID: PT02751, Glutamate receptor ionotropic, NMDA 2B
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2