ATC0175   Click here for help

GtoPdb Ligand ID: 1305

Synonyms: ATC 0175 | ATC-0175
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 70.15
Molecular weight 425.2
XLogP 5.23
No. Lipinski's rules broken 1
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Canonical SMILES O=C(c1ccc(c(c1)F)F)NC1CCC(CC1)Nc1nc2ccccc2c(n1)N(C)C
Isomeric SMILES O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C
InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
ATC 0175 | ATC-0175
Database Links Click here for help
Specialist databases
GPCRdb Ligand ATC0175
Other databases
BindingDB Ligand 50170191
CAS Registry No. 509118-03-0 (source: Scifinder)
ChEMBL Ligand CHEMBL182150
GtoPdb PubChem SID 135649970
PubChem CID 9934033
Search Google for chemical match using the InChIKey FAIMGWSOSCFGRU-IYBDPMFKSA-N
Search Google for chemicals with the same backbone FAIMGWSOSCFGRU
UniChem Compound Search for chemical match using the InChIKey FAIMGWSOSCFGRU-IYBDPMFKSA-N
UniChem Connectivity Search for chemical match using the InChIKey FAIMGWSOSCFGRU-IYBDPMFKSA-N
Wikipedia ATC-0175