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Chemical structure of SOS1-IN-15

GC69929

SOS1-IN-15

Also known as 1-[(7R)-16-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-14-methyl-9-oxa-2,5,13,15-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaene-5-carbonyl]cyclopropane-1-carbonitrile

SOS1-IN-15 (Compound 37) is an orally active SOS1 inhibitor with an IC50 of 5 nM· It can be used for research on KRAS-driven cancers

ChemicalCAS2793404-47-2MW536.55FormulaC28H27F3N6O2
CAS number
2793404-47-2
Molecular weight
536.55
Formula
C28H27F3N6O2
InChIKey
KKFFOOWORPUAJB-NVXWUHKLSA-N
Catalogue number
GC69929
Brand
GLPBIO
Computed properties PubChem CID 165437863 · XLogP 4.3 · TPSA 94.4 Ų · H-bond donors 1
XLogP
4.3
TPSA
94.4 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
39

SMILES CC1=NC2=CC3=C(C=C2C(=N1)N[C@H](C)C4=C(C(=CC=C4)C(F)F)F)N5CCN(C[C@@H]5CO3)C(=O)C6(CC6)C#N

Computed descriptors from PubChem (CID 165437863), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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