General Information of the Compound
| Compound ID |
CP0428493
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| Compound Name |
3-chloro-N-(8-chloro-1-oxo-2-phenyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-benzamide
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| Structure |
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| Formula |
C22H13Cl2N5O2
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| Molecular Weight |
450.285
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| Canonical SMILES |
Clc1cccc(c1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccccc1)c2=O
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| InChI |
InChI=1S/C22H13Cl2N5O2/c23-15-8-4-7-14(11-15)20(30)26-22-25-17-10-9-16(24)12-18(17)28-21(31)19(27-29(22)28)13-5-2-1-3-6-13/h1-12H,(H,25,26,30)
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| InChIKey |
YYKXPKQRTABKCN-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