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Chemical structure of ROCK-IN-1

GC31952

ROCK-IN-1

Also known as 4-(1-aminoethyl)-3-(4-fluorophenyl)-N-pyridin-4-ylbenzamide

ROCK-IN-1 is a potent inhibitor of ROCK, with an IC50 of 1·2 nM for ROCK2

ChemicalCAS934387-35-6MW335.37FormulaC20H18FN3O
CAS number
934387-35-6
Molecular weight
335.37
Formula
C20H18FN3O
Solubility
Soluble in DMSO
InChIKey
JJNXXPMAFUVGRU-UHFFFAOYSA-N
Catalogue number
GC31952
Brand
GLPBIO
Computed properties PubChem CID 16666062 · XLogP 2.7 · TPSA 68 Ų · H-bond donors 2
XLogP
2.7
TPSA
68 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25

SMILES CC(C1=C(C=C(C=C1)C(=O)NC2=CC=NC=C2)C3=CC=C(C=C3)F)N

Computed descriptors from PubChem (CID 16666062), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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