ET1 Mrv0541 02241213362D 27 29 0 0 0 0 999 V2000 -1.1155 -2.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2663 2.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0536 -0.1793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5385 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0536 -1.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 -1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -1.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -0.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 -1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8745 -2.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3085 -2.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 -3.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3085 0.6053 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 1.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6253 2.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0733 2.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 0.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 0.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1774 -3.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8184 -3.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3282 3.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1352 3.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 3 2 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 7 6 2 0 0 0 0 7 16 1 0 0 0 0 8 7 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 14 15 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 2 2 0 0 0 0 19 4 1 0 0 0 0 20 21 2 0 0 0 0 21 26 1 0 0 0 0 22 18 2 0 0 0 0 23 18 2 0 0 0 0 24 17 2 0 0 0 0 26 27 1 0 0 0 0 M END > DB07724 > drugbank > COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12 > InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22) > YMPALHOKRBVHOJ-UHFFFAOYSA-N > C19H19NO6S > 389.422 > 389.093308035 > 6 > 46 > -0.9996898821133446 > 39.55498779096634 > 1 > 1 > 0 > 1 > 3-[5-methoxy-1-(4-methoxybenzenesulfonyl)-1H-indol-3-yl]propanoic acid > 2.42 > 2.768356254999999 > -4.20 > 1 > -1 > 3 > -1 > 3.491661520214525 > -4.539585010173028 > 94.83000000000001 > 98.9998 > 6 > 1 > 2.44e-02 g/l > tetrahydrofolic acid > 0 > DB07724 > experimental > Indeglitazar > Indeglitazar $$$$