General Information of the Compound
| Compound ID |
CP0015475
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| Compound Name |
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
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| Structure |
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| Formula |
C16H10Cl2N2O3
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| Molecular Weight |
349.173
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| Canonical SMILES |
Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl
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| InChI |
InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)
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| InChIKey |
YYGKSMKAYKZSBC-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