Nav1.7 blocker 1

HCID 71283649
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)c1cc(N2CCOCC2CO)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIKey
BLUJYESVOGVXSE-UHFFFAOYSA-N
Molecular formula
C22H21FN4O4
Average molar mass
424.4 g/mol

Names & identifiers

Preferred name
Nav1.7 blocker 1
IUPAC
2-[4-(4-fluorophenoxy)phenyl]-6-[3-(hydroxymethyl)morpholin-4-yl]pyrimidine-4-carboxamide

Names & synonyms

Nav1.7 blocker 1orb2565720CHEMBL3944379SCHEMBL14743863BLUJYESVOGVXSE-UHFFFAOYSA-NBDBM185952HY-160663CS-1012934T86964US9163008, 412-(4-(4-fluorophenoxy)phenyl)-6-(3-(hydroxymethyl)morpholino)pyrimidine-4-carboxamide1426336-36-8

Database identifiers

PubChem CID
71283649
ChEMBL
CHEMBL3944379

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
31

Related reactions

1 records
New reaction record

Linked notes

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