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Chemical structure of 3MB-PP1

GC14186

3MB-PP1

Also known as 1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

polo-like kinase 1 (Plk1) allele inhibitor,ATP-competitive

ChemicalCAS956025-83-5MW295.4FormulaC17H21N5
CAS number
956025-83-5
Molecular weight
295.4
Formula
C17H21N5
Solubility
≤2mg/ml in ethanol;20mg/ml in DMSO;25mg/ml in dimethyl formamide
InChIKey
FYCOTGCSHZKHPR-UHFFFAOYSA-N
Catalogue number
GC14186
Brand
GLPBIO
Computed properties PubChem CID 24865390 · XLogP 3 · TPSA 69.6 Ų · H-bond donors 1
XLogP
3
TPSA
69.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

SMILES CC1=CC(=CC=C1)CC2=NN(C3=NC=NC(=C23)N)C(C)(C)C

Computed descriptors from PubChem (CID 24865390), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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