SB-408124   Click here for help

GtoPdb Ligand ID: 1704

Synonyms: SB 408124 | SB408124
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 57.26
Molecular weight 356.14
XLogP 3.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C
Isomeric SMILES O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C
InChI InChI=1S/C19H18F2N4O/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3/h4-10H,1-3H3,(H2,22,23,24,26)
InChI Key JTARFZSNUAGHRB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(6,8-difluoro-2-methylquinolin-4-yl)-3-(4-dimethylaminophenyl)urea
Synonyms Click here for help
SB 408124 | SB408124
Database Links Click here for help
CAS Registry No. 288150-92-5
ChEMBL Ligand CHEMBL1334465
GtoPdb PubChem SID 135651007
PubChem CID 4331799
RCSB PDB Ligand NVN
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Tocris
SB 408124
Cat. No. 1963