MetaADEDB 2.0 @ LMMD
1-(5-hydroxy-5-methylhexyl)-3-methylxanthine
(NWXULHNEYYFVMF-UHFFFAOYSA-N)
Structure
SMILES
O=c1n(CCCCC(O)(C)C)c(=O)c2c(n1C)nc[nH]2
Molecular Formula:
C13H20N4O3
Molecular Weight:
280.323
Log P:
0.3645
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
2
TPSA:
92.91
CAS Number(s):
107767-55-5
Synonym(s)
1.
1-(5-hydroxy-5-methylhexyl)-3-methylxanthine
2.
A 81-3138
3.
HWA 138
4.
HWA-138
External Link(s)
MeSHC062028
PubChem Compound115359
Therapeutic Target DatabaseD04ONP
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Candidiasis1759826CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120289

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.