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AG00ABKT

1572414-83-5 | ML-323

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CAS Number	1572414-83-5
Catalog Number	AG00ABKT(AGN-PC-0WNNWI)
Chemical Name	ML-323
IUPAC Name	5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
InChI	InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27)
InChI Key	VUIRVWPJNKZOSS-UHFFFAOYSA-N
MDL Number	MFCD28099817
Molecular Formula	C23H24N6
Molecular Weight	384.4769
SMILES	CC(C1=CC=CC=C1C2=NC=C(C)C(NCC3=CC=C(N4N=NC=C4)C=C3)=N2)C
Synonyms	ML323, 1572414-83-5, ML-323, ML 323, N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-methylpyrimidin-4-amine, CHEMBL3182437, 5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine, C23H24N6, GTPL7898, SCHEMBL15847799, AOB2313, EX-A392, HMS3653L13, BCP09653, KS-00000T6E, 2555AH, BDBM50069762, MFCD28099817, s7529, ZINC98023188, AKOS026750196, CS-2274, SB19053, NCGC00262306-01, NCGC00262306-02, NCGC00262306-25, AK175629, AS-16712, BC600443, DA-43946, HY-17543, QC-11769, SC-91485, FT-0700457, SW219291-1, A14030, J-690211, 4-Pyrimidinamine, 5-methyl-2-[2-(1-methylethyl)phe, 2-(2-ISOPROPYLPHENYL)-5-METHYL-N-{[4-(1,2,3-TRIAZOL-1-YL)PHENYL]METHYL}PYRIMIDIN-4-AMINE, 5-Methyl-2-[2-(1-methylethyl)phenyl]-N-[[4-(1H-1,2,3-triazol-1-yl)phenyl]methyl]-4-pyrimidinamine, N-{3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl}-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-4-biphenylcarboxamide, D0M5FO, ML323, 99%, an USP1-UAF1 inhibitor - 25MG 25mg, N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-methylpyrimidin -4-amine,

Complexity	492
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	384.206g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	384.487g/mol
Monoisotopic Mass	384.206g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

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CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited