basic_info |
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Product_Name: | AT13387 |
CAS: | 912999-49-6 ;1019889-41-8 |
EnglishSynonyms: | 4-((5-[(4-METHYLPIPERAZIN-1-YL)METHYL]-2,3-DIHYDRO-1H-ISOINDOL-2-YL)CARBONYL)-6-(PROPAN-2-YL)BENZENE-1,3-DIOL ; AT13387 ; METHANONE, [1,3-DIHYDRO-5-[(4-METHYL-1-PIPERAZINYL)METHYL]-2H-ISOINDOL-2-YL][2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]- |
pro_mdlNumber: | MFCD18633198 |
pro_acceptors: | 6 |
pro_donors: | 2 |
pro_smile: | CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C |
InChi: | InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3 |
InChiKey: | InChIKey=IFRGXKKQHBVPCQ-UHFFFAOYSA-N |
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