TP003   

GtoPdb Ligand ID: 4326

Synonyms: TP 003 | TP-003
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 61.32
Molecular weight 407.12
XLogP 5.61
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1cc(F)ccc1c1cc(ccc1F)c1cnc2n1ccc(c2F)C(O)(C)C
Isomeric SMILES N#Cc1cc(F)ccc1c1cc(ccc1F)c1cnc2n1ccc(c2F)C(O)(C)C
InChI InChI=1S/C23H16F3N3O/c1-23(2,30)18-7-8-29-20(12-28-22(29)21(18)26)13-3-6-19(25)17(10-13)16-5-4-15(24)9-14(16)11-27/h3-10,12,30H,1-2H3
InChI Key SJMMDWXJSSJHOQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-fluoro-2-{2-fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl}benzonitrile
Synonyms
TP 003 | TP-003
Database Links
CAS Registry No. 628690-75-5 (source: Scifinder)
GtoPdb PubChem SID 178101143
PubChem CID 10001434
Search Google for chemical match using the InChIKey SJMMDWXJSSJHOQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SJMMDWXJSSJHOQ
Search UniChem for chemical match using the InChIKey SJMMDWXJSSJHOQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SJMMDWXJSSJHOQ
Wikipedia TP-003

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Tocris
TP 003
Cat. No. 4414