RS-127445   Click here for help

GtoPdb Ligand ID: 188

Synonyms: RS 127445  | RS-127445-190 | RS127445
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 51.8
Molecular weight 281.13
XLogP 3.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C
Isomeric SMILES Nc1nc(cc(n1)c1ccc(c2c1cccc2)F)C(C)C
InChI InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)
InChI Key ZZZQXCUPAJFVBN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(4-fluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
Synonyms Click here for help
RS 127445  | RS-127445-190 | RS127445
Database Links Click here for help
BindingDB Ligand 50249134
ChEMBL Ligand CHEMBL473186
GtoPdb PubChem SID 135650939
PubChem CID 196968
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Wikipedia RS-127,445