General Information of the Compound
| Compound ID |
CP0212778
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| Compound Name |
2-amino-8-fluoro-N-[[3-(5-phenylpentylcarbamoyl)quinolin-8-yl]methyl]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C31H29FN6O2
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| Molecular Weight |
536.611
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| Canonical SMILES |
Nc1nc(C(=O)NCc2cccc3cc(cnc23)C(=O)NCCCCCc2ccccc2)c2cccc(F)c2n1
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| InChI |
InChI=1S/C31H29FN6O2/c32-25-15-8-14-24-27(25)37-31(33)38-28(24)30(40)36-18-22-13-7-12-21-17-23(19-35-26(21)22)29(39)34-16-6-2-5-11-20-9-3-1-4-10-20/h1,3-4,7-10,12-15,17,19H,2,5-6,11,16,18H2,(H,34,39)(H,36,40)(H2,33,37,38)
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| InChIKey |
UVHNHXMAXCQYMP-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