General Information of the Compound
| Compound ID |
CP0390935
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| Compound Name |
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-hexylamide
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| Structure |
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| Formula |
C19H21N5OS
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| Molecular Weight |
367.478
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| Canonical SMILES |
O=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12
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| InChI |
InChI=1S/C19H21N5OS/c25-18(22-14-6-2-1-3-7-14)16-17-15(8-10-26-17)23-19(24-16)21-12-13-5-4-9-20-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H,22,25)(H,21,23,24)
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| InChIKey |
JTMNJBCPWGVLEV-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b