General Information of the Compound
| Compound ID |
CP0293834
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| Compound Name |
8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
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| Synonyms |
1,3-dimethyl-8-cyclopentylxanthine
35873-49-5
8-Cyclopentyl theophylline
8-Cyclopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
8-Cyclopentyl-1,3-dimethylxanthine
8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
8-cyclopentyltheophylline
AC1L1CIO
AC1Q6LAU
BRN 1133199
CHEMBL106265
Lopac-C-102
Lopac0_000391
NCIOpen2_006919
NSC 101806
Spectrum2_001734
Spectrum3_000658
Spectrum4_000760
Spectrum5_001769
Spectrum_000351
Theophylline, 8-cyclopentyl-
U7PWT4CPL5
UNII-U7PWT4CPL5
Xanthine, 8-cyclopentyl-1,3-dimethyl-
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| Structure |
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| Formula |
C12H16N4O2
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| Molecular Weight |
248.286
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| Canonical SMILES |
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
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| InChI |
InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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| InChIKey |
SCVHFRLUNIOSGI-UHFFFAOYSA-N
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| CAS |
35873-49-5
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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
Clinical Information about the Compound