General Information of the Compound
| Compound ID |
CP0403839
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| Compound Name |
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-carbamic acid tert-butyl ester
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| Structure |
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| Formula |
C18H16ClN5O3
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| Molecular Weight |
385.811
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C18H16ClN5O3/c1-18(2,3)27-17(25)22-16-20-12-7-6-10(19)9-11(12)15-21-14(23-24(15)16)13-5-4-8-26-13/h4-9H,1-3H3,(H,20,22,25)
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| InChIKey |
HMWLVWDNIQJWLF-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3