AG00G3SE

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CAS Number	853299-07-7
Catalog Number	AG00G3SE(AGN-PC-0UZZ67)
Chemical Name	AUZ 454
IUPAC Name	1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
InChI	InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)
InChI Key	PWDLXPJQFNVTNL-UHFFFAOYSA-N
MDL Number	MFCD19443769
Molecular Formula	C24H26F3N7O2
Molecular Weight	501.5041
SMILES	NC1=NC=CC(=N1)OC1=CC=C(C=C1)NC(=O)NC1=CC(=C(C=C1)CN1CCN(CC1)C)C(F)(F)F
Synonyms	K03861, 853299-07-7, AUZ 454, 1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea, SCHEMBL3676641, PWDLXPJQFNVTNL-UHFFFAOYSA-N, BDBM154576, BCP24150, EX-A1910, s8100, AKOS032944925, ZINC139929867, CS-5822, HY-15004, K 03861;K-03861, K-03861, K03861 (1), 1-(4-((2-aminopyrimidin-4-yl)oxy)phenyl)-3-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea, 1-[4-(2-amino-pyrimidin-4-yloxy)-phenyl]-3-[4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-urea, LQ5, CID11260561, CID 11260561, A15889,

Complexity	700
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	501.21g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	501.514g/mol
Monoisotopic Mass	501.21g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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