General Information of the Compound
| Compound ID |
CP0446693
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| Compound Name |
4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-ethyl-1H-pyrazol-4-yl)methyl]pyrazole
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| Structure |
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| Formula |
C16H15ClF2N4O
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| Molecular Weight |
352.772
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| Canonical SMILES |
CCc1[nH]ncc1Cn1cc(cn1)-c1ccc(Cl)c(OC(F)F)c1
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| InChI |
InChI=1S/C16H15ClF2N4O/c1-2-14-12(6-20-22-14)9-23-8-11(7-21-23)10-3-4-13(17)15(5-10)24-16(18)19/h3-8,16H,2,9H2,1H3,(H,20,22)
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| InChIKey |
IZRNPSABLKZTLN-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