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Chemical structure of H-1152 dihydrochloride

GC36208

H-1152 dihydrochloride

Also known as 4-methyl-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;dihydrochloride

H-1152 dihydrochloride is a membrane-permeable and selective ROCK inhibitor, with a Ki value of 1·6 nM, and an IC50 value of 12 nM for ROCK2

ChemicalCAS871543-07-6MW392.34FormulaC16H23Cl2N3O2S
CAS number
871543-07-6
Molecular weight
392.34
Formula
C16H23Cl2N3O2S
Solubility
DMSO: ≥ 32 mg/mL (81·56 mM)
InChIKey
BFOPDSJOLUQULZ-GXKRWWSZSA-N
Catalogue number
GC36208
Brand
GLPBIO
Computed properties PubChem CID 11560225 · TPSA 70.7 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
70.7 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24

SMILES C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C.Cl.Cl

Computed descriptors from PubChem (CID 11560225), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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