General Information of the Compound
| Compound ID |
CP0528637
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| Compound Name |
(E)-3-[2-[(5-methyltetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]prop-2-en-1-one
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| Formula |
C19H19F6N5O
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| Molecular Weight |
447.383
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| Canonical SMILES |
Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)C(F)(F)F)C(F)(F)F)n1
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| InChI |
InChI=1S/C19H19F6N5O/c1-12-26-28-30(27-12)11-14-10-16(19(23,24)25)4-2-13(14)3-5-17(31)29-8-6-15(7-9-29)18(20,21)22/h2-5,10,15H,6-9,11H2,1H3/b5-3+
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| InChIKey |
QFRPGGTZWLAEDU-HWKANZROSA-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