8-cyclopentyltheophylline [376]
8-cyclopentyltheophylline
| SMILES |
Cn1c(=O)c2[nH]c(C3CCCC3)nc2n(C)c1=O |
| InChIKey |
SCVHFRLUNIOSGI-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
5 |
| Hydrogen bond donors |
1 |
| Rotatable bonds |
1 |
| Log P |
0.618 |
| Molecular weight (Da) |
248.1 |
| Stereochemistry info |
unspecified |
Bioactivities
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Activity |
Source |
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Gene |
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Type |
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Avg |
Max |
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Activity |
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8-cyclopentyltheophylline
Drug properties
| Molecular type |
Small molecule |
| Physiological/Surrogate |
Surrogate |
| Approved drug |
No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Compound is not listed as a drug.