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Chemical structure of CCT245737

GC19093

CCT245737

Also known as 5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile

CCT245737 is a orally active and seletive Chk1 inhibitor, with an IC50 of 1·3 nM

ChemicalCAS1489389-18-5MW379.34FormulaC16H16F3N7O
CAS number
1489389-18-5
Molecular weight
379.34
Formula
C16H16F3N7O
Solubility
DMSO ： ≥ 32 mg/mL (84·36 mM)
InChIKey
YBYYWUUUGCNAHQ-LLVKDONJSA-N
Catalogue number
GC19093
Brand
GLPBIO
Computed properties PubChem CID 72165232 · XLogP 1.1 · TPSA 108 Ų · H-bond donors 3
XLogP
1.1
TPSA
108 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
27

SMILES C1CO[C@H](CN1)CNC2=CC(=NC=C2C(F)(F)F)NC3=NC=C(N=C3)C#N

Computed descriptors from PubChem (CID 72165232), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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