Dovitinib (915769-50-5)

The IUPAC name of Dovitinib is (3E)-4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one; 2-hydroxypropanoic acid;hydrate. With the CAS registry number 915769-50-5, it is also named as Propanoic acid, 2-hydroxy-, compd. with 4-amino-5-fluoro-3-(6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl)-2(1H)-quinolinone, hydrate (1:1:1). The classification code is treatment of cancer. Additionally, Dovitinib is used as research reagent.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 6; (2)H-Bond Acceptor: 11; (3)Rotatable Bond Count: 2; (4)Tautomer Count: 36; (5)Exact Mass: 500.218346; (6)MonoIsotopic Mass: 500.218346; (7)Topological Polar Surface Area: 145; (8)Heavy Atom Count: 36; (9)Complexity: 952; (10)Undefined Atom StereoCenter Count: 1; (11)Defined Bond StereoCenter Count: 1; (12)Covalently-Bonded Unit Count: 3. 

People can use the following data to convert to the molecule structure. 
1. SMILES:CC(C(=O)O)O.CN1CCN(CC1)c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N.O
2. InChI:InChI=1/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2.