General Information of the Compound
| Compound ID |
CP0397156
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| Compound Name |
N-[5-(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-4-phenyl-1,3-thiazol-2-yl]-4-methoxybenzamide
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| Structure |
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| Formula |
C27H23N5O2S2
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| Molecular Weight |
513.648
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc(N)c2c3CCCCc3sc2n1)-c1ccccc1
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| InChI |
InChI=1S/C27H23N5O2S2/c1-34-17-13-11-16(12-14-17)25(33)32-27-29-21(15-7-3-2-4-8-15)22(36-27)24-30-23(28)20-18-9-5-6-10-19(18)35-26(20)31-24/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H2,28,30,31)(H,29,32,33)
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| InChIKey |
RJQNKCLRGAZXPX-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3