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Chemical structure of Rac1-IN-3

GC75622

Rac1-IN-3

Also known as 1,8-diamino-6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2,7-naphthyridine-4-carbonitrile

Rac1-IN-3 (Compound 2) is a Rac1 inhibitor with an IC50 of 46·1 μM

ChemicalCAS380470-06-4MW405.45FormulaC21H23N7O2
CAS number
380470-06-4
Molecular weight
405.45
Formula
C21H23N7O2
Solubility
DMSO： 125 mg/mL (308·30 mM; Need ultrasonic)
InChIKey
QYYJWWZJGZQJQV-UHFFFAOYSA-N
Catalogue number
GC75622
Brand
GLPBIO
Computed properties PubChem CID 2999946 · XLogP 2.9 · TPSA 127 Ų · H-bond donors 2
XLogP
2.9
TPSA
127 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
30

SMILES COC1=CC=CC=C1N2CCN(CC2)C3=C(C4=CC(=NC(=C4C(=N3)N)N)OC)C#N

Computed descriptors from PubChem (CID 2999946), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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