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942487-16-3 molecular structure
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N-[2-(4-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-11-azatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-11-yl)-2-oxoethyl]acetamide

ChemBase ID: 73200
Molecular Formular: C23H25F3N6O2
Molecular Mass: 474.4788096
Monoisotopic Mass: 474.19910873
SMILES and InChIs

SMILES:
c12c(cc(cc1)Nc1nc(c(cn1)C(F)(F)F)NC1CCC1)C1N(C2CC1)C(=O)CNC(=O)C
Canonical SMILES:
CC(=O)NCC(=O)N1C2CCC1c1c2ccc(c1)Nc1ncc(c(n1)NC1CCC1)C(F)(F)F
InChI:
InChI=1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)
InChIKey:
RYYNGWLOYLRZLK-UHFFFAOYSA-N

Cite this record

CBID:73200 http://www.chembase.cn/molecule-73200.html

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