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Chemical structure of NMS-P715 analog

GC19265

NMS-P715 analog

Also known as N-(2,6-diethylphenyl)-8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

NMS-P715 analog is an inhibitor of MPS1, with an IC50 of 84 nM

ChemicalCAS1202055-34-2MW622.76FormulaC35H42N8O3
CAS number
1202055-34-2
Molecular weight
622.76
Formula
C35H42N8O3
Solubility
Soluble in DMSO
InChIKey
WGZYFFJOGZFXBF-UHFFFAOYSA-N
Catalogue number
GC19265
Brand
GLPBIO
Computed properties PubChem CID 44556163 · XLogP 5 · TPSA 126 Ų · H-bond donors 3
XLogP
5
TPSA
126 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
46

SMILES CCC1=C(C(=CC=C1)CC)NC(=O)C2=NN(C3=C2CCC4=CN=C(N=C43)NC5=C(C=C(C=C5)C(=O)NC6CCN(CC6)C)OC)C

Computed descriptors from PubChem (CID 44556163), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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