General Information of the Compound
| Compound ID |
CP0083962
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| Compound Name |
2-amino-6,8-dichloro-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
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| Structure |
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| Formula |
C19H13Cl2N5O
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| Molecular Weight |
398.253
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| Canonical SMILES |
Nc1nc(C(=O)NCc2cccc3cccnc23)c2cc(Cl)cc(Cl)c2n1
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| InChI |
InChI=1S/C19H13Cl2N5O/c20-12-7-13-16(14(21)8-12)25-19(22)26-17(13)18(27)24-9-11-4-1-3-10-5-2-6-23-15(10)11/h1-8H,9H2,(H,24,27)(H2,22,25,26)
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| InChIKey |
VFXYYNOEPIQROX-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