General Information of the Compound
| Compound ID |
CP0848773
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| Compound Name |
trans-9-(4-hydroxycyclohexyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-f]purine-2,4(1H,3H)-dione
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| Formula |
C16H23N5O3
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| Molecular Weight |
333.392
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| Canonical SMILES |
Cn1c(=O)c2c(nc3n2CCCN3[C@H]2CC[C@H](O)CC2)n(C)c1=O
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| InChI |
InChI=1S/C16H23N5O3/c1-18-13-12(14(23)19(2)16(18)24)21-9-3-8-20(15(21)17-13)10-4-6-11(22)7-5-10/h10-11,22H,3-9H2,1-2H3/t10-,11-
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| InChIKey |
OWTYYHRZFHBGMQ-XYPYZODXSA-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