General Information of the Compound
| Compound ID |
CP0554881
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| Compound Name |
(E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)methyl)phenyl)-1-(4-((1-methyl-1H-pyrazol-4-yl)methyl)piperazin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C21H25ClN8O
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| Molecular Weight |
440.939
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| Canonical SMILES |
Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3cnn(C)c3)CC2)n1
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| InChI |
InChI=1S/C21H25ClN8O/c1-16-24-26-30(25-16)15-19-11-20(22)5-3-18(19)4-6-21(31)29-9-7-28(8-10-29)14-17-12-23-27(2)13-17/h3-6,11-13H,7-10,14-15H2,1-2H3/b6-4+
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| InChIKey |
DNGCQPDPKUZTSU-GQCTYLIASA-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