Molecule Info: ZM241385
Smiles:
Oc1ccc(cc1)CCNc1nc(N)n2c(n1)nc(n2)c1ccco1
InChIKey:
PWTBZOIUWZOPFT-VRGMUVNCNA-N
InChI:
1/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)/f/h18H,17H2
InChIcol:
1
More information (from its Standard Form):
ZM241385
Complex structures in which this molecule appears :
Complex Structure ID: 41 Complex Structure ID: 47
References in which this molecule is mentioned:
National Center for Biotechnology Information. PubChem Compound Database. None. Information for this molecule was obtained via PubChem API and RDKit tools. None None (None). doi: None.
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.
Image of the Specific State
