basic_info |
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Product_Name: | BEDEROCIN |
CAS: | 757942-43-1 |
EnglishSynonyms: | 2-(3-((4-BROMO-5-(1-FLUOROVINYL)-3-METHYLTHIOPHEN-2-YL)METHYLAMINO)PROPYLAMINO)QUINOLIN-4(1H)-ONE ; BEDEROCIN ; 4(1H)-QUINOLINONE, 2-[[3-[[[4-BROMO-5-(1-FLUOROETHENYL)-3-METHYL-2-THIENYL]METHYL]AMINO]PROPYL]AMINO]- |
pro_mdlNumber: | MFCD13152401 |
pro_acceptors: | 4 |
pro_donors: | 3 |
pro_smile: | Cc1c(sc(c1Br)C(=C)F)CNCCCNc2cc(=O)c3ccccc3[nH]2 |
InChi: | InChI=1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26) |
InChiKey: | InChIKey=BGJMKHPWCFXMOW-UHFFFAOYSA-N |
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