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Chemical structure of ROCK1-IN-1

GC66338

ROCK1-IN-1

Also known as 2-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

ROCK1-IN-1 is a ROCK1 inhibitor with a Ki value of 540 nM· ROCK1-IN-1 can be used for the research of hypertension, glaucoma and erectile dysfunction

ChemicalCAS692869-38-8MW325.38FormulaC17H15N3O2S
CAS number
692869-38-8
Molecular weight
325.38
Formula
C17H15N3O2S
Solubility
DMSO ： 125 mg/mL (384·17 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ALHMHPNOEONPMW-UHFFFAOYSA-N
Catalogue number
GC66338
Brand
GLPBIO
Computed properties PubChem CID 2123970 · XLogP 2.6 · TPSA 92.4 Ų · H-bond donors 1
XLogP
2.6
TPSA
92.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23

SMILES COC1=CC=C(C=C1)CC(=O)NC2=NC(=CS2)C3=CC=NC=C3

Computed descriptors from PubChem (CID 2123970), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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