basic_info |
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| Product_Name: | CYCLOPROPANECARBOXAMIDE, N-[3-[[6-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]-4-PYRIMIDINYL]AMINO]PHENYL]- |
| CAS: | 879127-07-8 |
| EnglishSynonyms: | EGFR INHIBITOR ; N-(3-(6-(3-(TRIFLUOROMETHYL)PHENYLAMINO)PYRIMIDIN-4-YLAMINO)PHENYL)CYCLOPROPANECARBOXAMIDE ; CYCLOPROPANECARBOXYLIC ACID (3-[6-(3-TRIFLUOROMETHYL-PHENYLAMINO)-PYRIMIDIN-4-YLAMINO]-PHENYL)-AMIDE ; CYCLOPROPANECARBOXAMIDE, N-[3-[[6-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]-4-PYRIMIDINYL]AMINO]PHENYL]- |
| pro_mdlNumber: | MFCD13191284 |
| pro_acceptors: | 6 |
| pro_donors: | 3 |
| pro_smile: | c1cc(cc(c1)Nc2cc(ncn2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F |
| InChi: | InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28) |
| InChiKey: | InChIKey=YOHYSYJDKVYCJI-UHFFFAOYSA-N |
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