2-[3-[[4-[(4-Amino-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-5-fluoro-2-pyrimidinyl]amino]phenoxy]-N-methylacetamide

Base Information

• Chemical Name: 2-[3-[[4-[(4-Amino-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-5-fluoro-2-pyrimidinyl]amino]phenoxy]-N-methylacetamide
• CAS No.: 575485-19-7
• Molecular Formula: C22H23FN6O3
• DSSTox Substance ID: DTXSID001106904
• Pharos Ligand ID: FQ4HRCCS8VRD
• ChEMBL ID: CHEMBL3974702

Synonyms:CHEMBL3974702;BDBM255515;DTXSID001106904;US9499493, R950368;2-[3-[[4-[(4-Amino-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-5-fluoro-2-pyrimidinyl]amino]phenoxy]-N-methylacetamide;575485-19-7

Chemical Property of 2-[3-[[4-[(4-Amino-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-5-fluoro-2-pyrimidinyl]amino]phenoxy]-N-methylacetamide

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 438.18156678
• Heavy Atom Count: 32
• Complexity: 616

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• Canonical SMILES: CNC(=O)COC1=CC=CC(=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OCCC4N)F

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