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Chemical structure of MS154N

GC75659

MS154N

Also known as 3-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-N-[8-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctyl]propanamide

MS154N (compound 28) is the negative control of MS39

ChemicalCAS2675490-97-6MW915.45FormulaC47H56ClFN8O8
CAS number
2675490-97-6
Molecular weight
915.45
Formula
C47H56ClFN8O8
InChIKey
XFUDPXQGWCYCCR-UHFFFAOYSA-N
Catalogue number
GC75659
Brand
GLPBIO
Computed properties PubChem CID 155515813 · XLogP 6.1 · TPSA 176 Ų · H-bond donors 2
XLogP
6.1
TPSA
176 Ų
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
22
Heavy atoms
65

SMILES CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCCCNC(=O)CCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)C(=NC=N6)NC7=CC(=C(C=C7)F)Cl)OC

Computed descriptors from PubChem (CID 155515813), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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