General Information of the Compound
| Compound ID |
CP0174710
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| Compound Name |
2-amino-8-fluoro-N-[[4-(4-phenylpiperazine-1-carbonyl)quinolin-8-yl]methyl]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C30H26FN7O2
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| Molecular Weight |
535.583
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| Canonical SMILES |
Nc1nc(C(=O)NCc2cccc3c(ccnc23)C(=O)N2CCN(CC2)c2ccccc2)c2cccc(F)c2n1
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| InChI |
InChI=1S/C30H26FN7O2/c31-24-11-5-10-23-26(24)35-30(32)36-27(23)28(39)34-18-19-6-4-9-21-22(12-13-33-25(19)21)29(40)38-16-14-37(15-17-38)20-7-2-1-3-8-20/h1-13H,14-18H2,(H,34,39)(H2,32,35,36)
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| InChIKey |
HXAXJWAXDGSVLG-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