GYKI53655   

GtoPdb Ligand ID: 4209

Synonyms: GYKI 53655 | GYKI-53655 | LY300168
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 89.18
Molecular weight 352.15
XLogP 2.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNC(=O)N1N=C(c2ccc(cc2)N)c2c(CC1C)cc1c(c2)OCO1
Isomeric SMILES CNC(=O)N1N=C(c2ccc(cc2)N)c2c(CC1C)cc1c(c2)OCO1
InChI InChI=1S/C19H20N4O3/c1-11-7-13-8-16-17(26-10-25-16)9-15(13)18(22-23(11)19(24)21-2)12-3-5-14(20)6-4-12/h3-6,8-9,11H,7,10,20H2,1-2H3,(H,21,24)
InChI Key SMGACXZFVXKEAX-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
10-(4-aminophenyl)-N,13-dimethyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,7,10-tetraene-12-carboxamide
Synonyms
GYKI 53655 | GYKI-53655 | LY300168
Database Links
CAS Registry No. 143692-18-6 (source: Scifinder)
ChEMBL Ligand CHEMBL267450
GtoPdb PubChem SID 178101026
PubChem CID 126758
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