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Chemical structure of Ro 3306

GC12348

Ro 3306

Also known as (5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-thiazolidin-4-one

Ro 3306 functions as the ATP-competitive inhibitor targeting CDK1/cyclin B1 with Ki value of 35nmol/L, and targeting CDK1/cyclin A complexes with Ki value of 110nmol/L

ChemicalCAS872573-93-8MW351.45FormulaC18H13N3OS2
CAS number
872573-93-8
Molecular weight
351.45
Formula
C18H13N3OS2
Solubility
≥ 4·39mg/mL in DMSO
InChIKey
XOLMRFUGOINFDQ-YBEGLDIGSA-N
Catalogue number
GC12348
Brand
GLPBIO
Computed properties PubChem CID 135400873 · XLogP 4 · TPSA 108 Ų · H-bond donors 1
XLogP
4
TPSA
108 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

SMILES C1=CC2=C(C=CC(=C2)/C=C\3/C(=O)NC(=NCC4=CC=CS4)S3)N=C1

Computed descriptors from PubChem (CID 135400873), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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