dilmapimod   Click here for help

GtoPdb Ligand ID: 7815

Synonyms: SB-681323
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: This is Example 64 in patent EP1333833 [1].
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2D Structure
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Physico-chemical Properties
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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
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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)
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
9119 dilmapimod
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 444606-18-2
ChEMBL Ligand CHEMBL2103838
GtoPdb PubChem SID 223366146
PubChem CID 10297982
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UniChem Compound Search for chemical match using the InChIKey ORVNHOYNEHYKJG-UHFFFAOYSA-N
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