Ageliferin

Catalog Number	ACM117417648
CAS Number	117417-64-8
Molecular Weight	620.3
InChI	InChI=1S/C22H24Br2N10O2/c23-10-2-14(27-5-10)19(35)29-4-9-1-13-18(34-22(26)32-13)17(16-8-31-21(25)33-16)12(9)7-30-20(36)15-3-11(24)6-28-15/h2-3,5-6,8-9,12,17,27-28H,1,4,7H2,(H,29,35)(H,30,36)(H3,25,31,33)(H3,26,32,34)/t9-,12-,17-/m1/s1
InChI Key	DMMLTRAQSJWUHT-OGTWGDGJSA-N
Purity	90%+
Complexity	811
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	620.043
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	8
Isomeric SMILES	C1[C@@H]([C@H]([C@@H](C2=C1NC(=N2)N)C3=CN=C(N3)N)CNC(=O)C4=CC(=CN4)Br)CNC(=O)C5=CC(=CN5)Br
Monoisotopic Mass	618.04505
Rotatable Bond Count	7
Topological Polar Surface Area	199 Ų

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