General Information of the Compound
| Compound ID |
CP0395577
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| Compound Name |
N-[4-chloro-2-(2,2-dimethylpropyl)pyrazolo[3,4-d]pyrimidin-6-yl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C18H17ClF3N5O
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| Molecular Weight |
411.815
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| Canonical SMILES |
CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(cc3)C(F)(F)F)nc2n1
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| InChI |
InChI=1S/C18H17ClF3N5O/c1-17(2,3)9-27-8-12-13(19)23-16(24-14(12)26-27)25-15(28)10-4-6-11(7-5-10)18(20,21)22/h4-8H,9H2,1-3H3,(H,24,25,26,28)
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| InChIKey |
DRNOMGVIDWIDSG-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