General Information of the Compound
| Compound ID |
CP0539848
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| Compound Name |
(E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)methyl)phenyl)-1-(4-((2-methyloxazol-4-yl)methyl)piperazin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C21H24ClN7O2
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| Molecular Weight |
441.923
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| Canonical SMILES |
Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(Cc3coc(C)n3)CC2)n1
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| InChI |
InChI=1S/C21H24ClN7O2/c1-15-24-26-29(25-15)12-18-11-19(22)5-3-17(18)4-6-21(30)28-9-7-27(8-10-28)13-20-14-31-16(2)23-20/h3-6,11,14H,7-10,12-13H2,1-2H3/b6-4+
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| InChIKey |
SSUQKWCRLANIRC-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