SB 204741   Click here for help

GtoPdb Ligand ID: 221

Synonyms: SB-204,741 | SB-204741
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 87.19
Molecular weight 286.09
XLogP 2.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C
Isomeric SMILES O=C(Nc1snc(c1)C)Nc1ccc2c(c1)ccn2C
InChI InChI=1S/C14H14N4OS/c1-9-7-13(20-17-9)16-14(19)15-11-3-4-12-10(8-11)5-6-18(12)2/h3-8H,1-2H3,(H2,15,16,19)
InChI Key USFUFHFQWXDVMH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
Synonyms Click here for help
SB-204,741 | SB-204741
Database Links Click here for help
ChEMBL Ligand CHEMBL323356
GtoPdb PubChem SID 135650984
PubChem CID 3277600
Search Google for chemical match using the InChIKey USFUFHFQWXDVMH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone USFUFHFQWXDVMH
Search UniChem for chemical match using the InChIKey USFUFHFQWXDVMH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone USFUFHFQWXDVMH
Wikipedia SB-204,741

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Tocris
SB 204741
Cat. No. 1372