Top-1288
3-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-5-ethynyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzamide
Molecular Identity
Top-1288
3-[[4-[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-5-ethynyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzamide
PubChem CID: 81689783
2D Structure
Properties
C43H49N7O9S
Molecular Formula
840.00
Molecular Weight
g/mol
839.3312
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
209
TPSA
May have limited oral absorption
5
H-Bond Donors
13
H-Bond Acceptors
1500
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)NC5=CC(=CC(=C5)C(=O)NCCOCCOCCOC)C#CIsomeric SMILES
SMILES: CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)NC5=CC(=CC(=C5)C(=O)NCCOCCOCCOC)C#CSynonyms(20)
TOP-1288TOP128819ZTZ9YC4OUNII-19ZTZ9YC4O1630202-02-6Benzamide, 3-((4-((4-((((5-(1,1-dimethylethyl)-2-methoxy-3-((methylsulfonyl)amino)phenyl)amino)carbonyl)amino)-1-naphthalenyl)oxy)-2-pyrimidinyl)amino)-5-ethynyl-N-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)-3-((4-((4-(((5-tert-butyl-3-methanesulfonamido-2-methoxyphenyl)carbamoyl)amino)naphthalen-1-yl)oxy)pyrimidin-2-yl)amino)-5-ethynyl-N-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)benzamide3-({4-[(4-{[(5-tert-butyl-3-methanesulfonamido-2-methoxyphenyl)carbamoyl]amino}naphthalen-1-yl)oxy]pyrimidin-2-yl}amino)-5-ethynyl-N-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}benzamideRefChem:190410orb2565143CHEMBL3681949SCHEMBL16106446SCHEMBL29356526FWXVGKSWZJEPQI-UHFFFAOYSA-NBDBM142019
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Top-1288
Loading drug network...