AG009FDG

Name: FIIN-1
Brand: Angene Chemical
SKU: AG009FDG

1256152-35-8 | FIIN-1

AG009FDG

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CAS Number	1256152-35-8
Catalog Number	AG009FDG(AGN-PC-0WNOYW)
Chemical Name	FIIN-1
IUPAC Name	N-[3-[[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[4-(diethylamino)butylamino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide
InChI	InChI=1S/C32H39Cl2N7O4/c1-6-26(42)37-23-13-11-12-21(16-23)19-41-30-22(18-36-31(38-30)35-14-9-10-15-39(7-2)8-3)20-40(32(41)43)29-27(33)24(44-4)17-25(45-5)28(29)34/h6,11-13,16-18H,1,7-10,14-15,19-20H2,2-5H3,(H,37,42)(H,35,36,38)
InChI Key	DNVFTXQYIYFQBW-UHFFFAOYSA-N
MDL Number	MFCD28137734
Molecular Formula	C32H39Cl2N7O4
Molecular Weight	656.6026
SMILES	C(NC1=CC=CC(CN2C3=NC(NCCCCN(CC)CC)=NC=C3CN(C3=C(Cl)C(OC)=CC(OC)=C3Cl)C2=O)=C1)(=O)C=C
Synonyms	FIIN-1, CHEMBL2216830, 1256152-35-8, N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide, SCHEMBL17010767, BDBM50403060, ZINC95564544, NCGC00378818-01, DNVFTXQYIYFQBW-UHFFFAOYSA-N, MK9,

Complexity	947
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	655.244g/mol
Formal Charge	0
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	656.609g/mol
Monoisotopic Mass	655.244g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

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