AG01ENX9

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CAS Number	1616287-82-1
Catalog Number	AG01ENX9(AGN-PC-3H464E)
Chemical Name	PF-06726304
IUPAC Name	5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
InChI	InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)
InChI Key	PDKDOPJQPKXNCT-UHFFFAOYSA-N
MDL Number	MFCD31563584
Molecular Formula	C22H21Cl2N3O3
Molecular Weight	446.3264
SMILES	O=C1N(CC2=C(C)C=C(C)NC2=O)CCC3=C1C(Cl)=C(C4=C(C)ON=C4C)C=C3Cl
Synonyms	PF-06726304, 1616287-82-1, CHEMBL3911017, 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, SCHEMBL15813960, PDKDOPJQPKXNCT-UHFFFAOYSA-N, BDBM50193709, ZINC217956943, CS-8072, HY-103682, J3.548.889H, A16937, 1,2,3,4-Tetrahydro-2-(1,2-dihydro-2-oxo-4,6-dimethylpyridine-3-ylmethyl)-5,8-dichloro-7-(3,5-dimethylisoxazole-4-yl)isoquinoline-1-one, CJG,

Complexity	799
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	445.096g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	446.328g/mol
Monoisotopic Mass	445.096g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	75.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited