General Information of the Compound
| Compound ID |
CP0418719
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| Compound Name |
2-anilino-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(dimethylamino)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C21H21N5OS2
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| Molecular Weight |
423.567
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| Canonical SMILES |
CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
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| InChI |
InChI=1S/C21H21N5OS2/c1-26(2)18-17(29-21(24-18)23-13-8-4-3-5-9-13)19(27)25-20-15(12-22)14-10-6-7-11-16(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,27)
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| InChIKey |
FCTOTFLVHVXGMI-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3