General Information of the Compound
| Compound ID |
CP0441857
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| Compound Name |
CHEMBL424908
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| Formula |
C23H33N5O5
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| Molecular Weight |
459.547
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(=O)NCC(=O)OC
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| InChI |
InChI=1S/C23H33N5O5/c1-4-12-27-17-16(18(30)28(13-5-2)21(27)32)25-19(26-17)22-6-9-23(10-7-22,11-8-22)20(31)24-14-15(29)33-3/h4-14H2,1-3H3,(H,24,31)(H,25,26)/t22-,23+
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| InChIKey |
ZAPNHSIRIXRZCP-ZRZAMGCNSA-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
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3