VU0152100   Click here for help

GtoPdb Ligand ID: 3263

Synonyms: VU 0152100 | VU-0152100
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 5
Topological polar surface area 105.48
Molecular weight 341.12
XLogP 2.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C
Isomeric SMILES COc1ccc(cc1)CNC(=O)c1sc2c(c1N)c(C)cc(n2)C
InChI InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
InChI Key MDNWGCQSCGNTKH-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-amino-N-[(4-methoxyphenyl)methyl]-4,6-dimethylthieno[5,4-b]pyridine-2-carboxamide
Synonyms Click here for help
VU 0152100 | VU-0152100
Database Links Click here for help
CAS Registry No. 409351-28-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1978713
GtoPdb PubChem SID 178100306
PubChem CID 864492
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Tocris
VU 152100
Cat. No. 3383