General Information of the Compound
| Compound ID |
CP0547461
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| Compound Name |
(E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)methyl)phenyl)-1-(4-((5-methoxypyridin-2-yl)methyl)piperazin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C23H26ClN7O2
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| Molecular Weight |
467.961
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| Canonical SMILES |
COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1
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| InChI |
InChI=1S/C23H26ClN7O2/c1-17-26-28-31(27-17)15-19-13-20(24)5-3-18(19)4-8-23(32)30-11-9-29(10-12-30)16-21-6-7-22(33-2)14-25-21/h3-8,13-14H,9-12,15-16H2,1-2H3/b8-4+
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| InChIKey |
JQTRFEYTVDZWMO-XBXARRHUSA-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: PT01786, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2