General Information of the Compound
| Compound ID |
CP0545081
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| Compound Name |
N-[[3-bromo-5-(trifluoromethyl)phenyl]carbamothioyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C19H20BrF3N2OS
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| Molecular Weight |
461.347
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| Canonical SMILES |
FC(F)(F)c1cc(Br)cc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)c1
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| InChI |
InChI=1S/C19H20BrF3N2OS/c20-14-4-13(19(21,22)23)5-15(6-14)24-17(27)25-16(26)18-7-10-1-11(8-18)3-12(2-10)9-18/h4-6,10-12H,1-3,7-9H2,(H2,24,25,26,27)
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| InChIKey |
ZWMPXLZQPRTIQF-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