AG01ENFK

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CAS Number	1783816-74-9
Catalog Number	AG01ENFK(AGN-PC-3H45KO)
Chemical Name	NVS-PAK1-1
IUPAC Name	(3S)-3-[[8-chloro-11-(2,2-difluoroethyl)-3-fluoro-5H-benzo[b][1,4]benzodiazepin-6-ylidene]amino]-N-propan-2-ylpyrrolidine-1-carboxamide
InChI	InChI=1S/C23H25ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16,21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)/t16-/m0/s1
InChI Key	OINGHOPGNMYCAB-INIZCTEOSA-N
MDL Number	MFCD30723183
Molecular Formula	C23H25ClF3N5O
Molecular Weight	479.9257
SMILES	O=C(N1C[C@@H](NC2=NC3=CC(F)=CC=C3N(CC(F)F)C4=CC=C(Cl)C=C42)CC1)NC(C)C
Synonyms	NVS-PAK1-1, 1783816-74-9, CHEMBL3609372, NVS PAK1 1, NVSPAK11; NVS PAK1 1, BCP29548, BDBM50112348, AKOS032946524, CS-6916, NCGC00486944-01, NVS-PAK1-1, >=98% (HPLC), HY-100519, NVS-PAK1-1,1783816-74-9, NVS-PAK1-1NVS-PAK11NVS-PAK1 1, (3S)-3-(2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-ylamino)-N-isopropylpyrrolidine-1-carboxamide,

Complexity	726
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	479.169973g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	479.9g/mol
Monoisotopic Mass	479.169973g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	60Å²
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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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