oditrasertib   Click here for help

GtoPdb Ligand ID: 12372

Synonyms: example 29 [WO2018213632A1]
Compound class: Synthetic organic
Comment: This is the chemical structure for the INN oditrasertib. The structure is claimed in Denali Therapeutics' patent WO2018213632A1 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 66.22
Molecular weight 295.11
XLogP 0.97
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cncc2c1OCCN(C2)C(=O)C(C(F)F)(C)C
Isomeric SMILES CC(C)(C(F)F)C(=O)N1CCOc2c(cncc2C1)C#N
InChI InChI=1S/C14H15F2N3O2/c1-14(2,12(15)16)13(20)19-3-4-21-11-9(5-17)6-18-7-10(11)8-19/h6-7,12H,3-4,8H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
12578 oditrasertib
Synonyms Click here for help
example 29 [WO2018213632A1]
Database Links Click here for help
BindingDB Ligand 529953
CAS Registry No. 2252271-93-3 (source: WHO INN record)
GtoPdb PubChem SID 479821163
PubChem CID 135382587
Search Google for chemical match using the InChIKey CSCLQCHKUAMZOY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CSCLQCHKUAMZOY
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UniChem Compound Search for chemical match using the InChIKey CSCLQCHKUAMZOY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CSCLQCHKUAMZOY-UHFFFAOYSA-N