General Information of the Compound
| Compound ID |
CP0409344
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| Compound Name |
2-amino-N-(1H-benzimidazol-4-ylmethyl)-8-fluoroquinazoline-4-carboxamide
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| Structure |
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| Formula |
C17H13FN6O
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| Molecular Weight |
336.33
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| Canonical SMILES |
Nc1nc(C(=O)NCc2cccc3[nH]cnc23)c2cccc(F)c2n1
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| InChI |
InChI=1S/C17H13FN6O/c18-11-5-2-4-10-14(11)23-17(19)24-15(10)16(25)20-7-9-3-1-6-12-13(9)22-8-21-12/h1-6,8H,7H2,(H,20,25)(H,21,22)(H2,19,23,24)
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| InChIKey |
VYLSCEYEEGPBTA-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