General Information of the Compound
| Compound ID |
CP0495664
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| Compound Name |
2-(3,4-dimethoxyphenyl)-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]acetamide
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| Structure |
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| Formula |
C20H22Cl3N3O3S
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| Molecular Weight |
490.84
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| Canonical SMILES |
COc1ccc(CC(=O)NC(NC(=S)Nc2ccccc2C)C(Cl)(Cl)Cl)cc1OC
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| InChI |
InChI=1S/C20H22Cl3N3O3S/c1-12-6-4-5-7-14(12)24-19(30)26-18(20(21,22)23)25-17(27)11-13-8-9-15(28-2)16(10-13)29-3/h4-10,18H,11H2,1-3H3,(H,25,27)(H2,24,26,30)
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| InChIKey |
SXJUNHQOMZNRNQ-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7