General Information of the Compound
| Compound ID |
CP0569002
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| Compound Name |
N-[(3,4-dimethoxyphenyl)carbamothioyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C20H26N2O3S
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| Molecular Weight |
374.506
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| Canonical SMILES |
COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC
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| InChI |
InChI=1S/C20H26N2O3S/c1-24-16-4-3-15(8-17(16)25-2)21-19(26)22-18(23)20-9-12-5-13(10-20)7-14(6-12)11-20/h3-4,8,12-14H,5-7,9-11H2,1-2H3,(H2,21,22,23,26)
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| InChIKey |
BJCYJMBYTDXDSW-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: PT04148, P2X purinoceptor 2
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT03949, P2X purinoceptor 5
Protein ID: PT01449, P2X purinoceptor 7