General Information of the Compound
| Compound ID |
CP0548427
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| Compound Name |
N-[[2,6-dibromo-3-(trifluoromethyl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C16H9Br2F3N2O3S
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| Molecular Weight |
526.128
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| Canonical SMILES |
FC(F)(F)c1ccc(Br)c(NC(=S)NC(=O)c2ccc3OCOc3c2)c1Br
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| InChI |
InChI=1S/C16H9Br2F3N2O3S/c17-9-3-2-8(16(19,20)21)12(18)13(9)22-15(27)23-14(24)7-1-4-10-11(5-7)26-6-25-10/h1-5H,6H2,(H2,22,23,24,27)
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| InChIKey |
DBTFQHXBNQOCMQ-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: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7