General Information of the Compound
| Compound ID |
CP0468872
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| Compound Name |
5-(4-chlorophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C17H15ClN4O
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| Molecular Weight |
326.787
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccnc2nc([nH]c(=O)c12)N1CCCC1
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| InChI |
InChI=1S/C17H15ClN4O/c18-12-5-3-11(4-6-12)13-7-8-19-15-14(13)16(23)21-17(20-15)22-9-1-2-10-22/h3-8H,1-2,9-10H2,(H,19,20,21,23)
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| InChIKey |
DWHZEYYOVXBBBO-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