basic_info |
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Product_Name: | 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLIC ACID, 3-[4-[(2-CHLORO-4-CYANOPHENYL)AMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]-, 1-METHYLCYCLOBUTYL ESTER, (3-EXO)- |
CAS: | 1206474-11-4 |
EnglishSynonyms: | 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLIC ACID, 3-[4-[(2-CHLORO-4-CYANOPHENYL)AMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]-, 1-METHYLCYCLOBUTYL ESTER, (3-EXO)- |
pro_mdlNumber: | MFCD18253019 |
pro_acceptors: | 8 |
pro_donors: | 1 |
pro_smile: | CC1CCC1OC(=O)N2C3CCC2CC(C3)[n@@]4ccc5c4ncnc5Nc6ccc(cc6Cl)C#N |
InChi: | InChI=1S/C26H27ClN6O2/c1-15-2-7-23(15)35-26(34)33-17-4-5-18(33)12-19(11-17)32-9-8-20-24(29-14-30-25(20)32)31-22-6-3-16(13-28)10-21(22)27/h3,6,8-10,14-15,17-19,23H,2,4-5,7,11-12H2,1H3,(H,29,30,31) |
InChiKey: | InChIKey=GKFFEMVYADCPQO-UHFFFAOYSA-N |
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