dilmapimod   

GtoPdb Ligand ID: 7815

Synonyms: SB-681323
Compound class: Synthetic organic
Comment: This is Example 64 in patent EP1333833 [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 99.75
Molecular weight 456.14
XLogP 4.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO
Isomeric SMILES OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO
InChI InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)
InChI Key ORVNHOYNEHYKJG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[6,5-d]pyrimidin-7-one
International Nonproprietary Names
INN number INN
9119 dilmapimod
Synonyms
SB-681323
Comments
This is Example 64 in patent EP1333833 [1].
Database Links
CAS Registry No. 444606-18-2
ChEMBL Ligand CHEMBL2103838
GtoPdb PubChem SID 223366146
PubChem CID 10297982
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