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Chemical structure of Toreforant

GC31220

Toreforant

Also listed as Toreforant (JNJ-38518168)

Toreforant (JNJ-38518168) is a potent and selective histamine H4 receptor (H4R) antagonist, with a Ki at the human receptor of 8·4 nM

ChemicalCAS952494-46-1MW392.54FormulaC23H32N6
CAS number
952494-46-1
Molecular weight
392.54
Formula
C23H32N6
Solubility
Soluble in DMSO
InChIKey
FCRFVPZAXGJLPW-UHFFFAOYSA-N
Catalogue number
GC31220
Brand
GLPBIO
Computed properties PubChem CID 23650961 · XLogP 4.4 · TPSA 69.7 Ų · H-bond donors 2
XLogP
4.4
TPSA
69.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

SMILES CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C

Computed descriptors from PubChem (CID 23650961), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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