General Information of the Compound
| Compound ID |
CP0082002
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| Compound Name |
6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
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| Synonyms |
2-(4-Morpholinoanilino)-6-cyclohexylaminopurine
2vgo
656820-32-5
9H-Purine-2,6-diamine,N6-cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-
AC1L4OI2
AC1Q4YB4
AD5
C21H27N7O
CHEBI:70723
CHEMBL188343
IN1127
MLS006010275
N(6)-cyclohexyl-N(2)-[4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine
N6-cyclohexyl-N2-(4-morpholinophenyl)-7H-purine-2,6-diamine
N~6~-Cyclohexyl-N~2~-(4-Morpholin-4-Ylphenyl)-9h-Purine-2,6-Diamine
REVERSINE
Reversine
Reversine(HPLC)
SCHEMBL1800790
UNII-Z499CLJ023
Z499CLJ023
ZFLJHSQHILSNCM-UHFFFAOYSA-N
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| Structure |
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| Formula |
C21H27N7O
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| Molecular Weight |
393.495
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| Canonical SMILES |
C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
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| InChI |
InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
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| InChIKey |
ZFLJHSQHILSNCM-UHFFFAOYSA-N
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| CAS |
656820-32-5
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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: PT01279, Adenosine receptor A3
Clinical Information about the Compound