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Chemical structure of CpCDPK1/TgCDPK1-IN-3

GC70611

CpCDPK1/TgCDPK1-IN-3

Also known as 3-(1-methylindol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

CpCDPK1/TgCDPK1-IN-3 (Compound 20) is a CpCDPK1 and TgCDPK1 inhibitor with IC50 values of 0·003 and 0·0036 µM, respectively

ChemicalCAS1092788-87-8MW306.37FormulaC17H18N6
CAS number
1092788-87-8
Molecular weight
306.37
Formula
C17H18N6
InChIKey
SPUWUOGLPPVXCW-UHFFFAOYSA-N
Catalogue number
GC70611
Brand
GLPBIO
Computed properties PubChem CID 24905221 · XLogP 2.3 · TPSA 74.6 Ų · H-bond donors 1
XLogP
2.3
TPSA
74.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

SMILES CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(C=C3)N(C=C4)C)N

Computed descriptors from PubChem (CID 24905221), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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