Mrv1909 11282221042D 76 84 0 0 0 0 999 V2000 2.1607 -5.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1594 -4.9334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4442 -4.5220 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8555 -3.8069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 -5.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 -4.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0153 -4.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6999 -4.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7012 -3.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 -2.8768 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0126 -2.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 -3.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 -2.8720 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 -2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7243 -1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.8857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 0.8706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 1.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.8567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6683 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 -2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 -0.8709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 0.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 1.4597 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5174 0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2913 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8902 -1.3978 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4948 1.4857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 1.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2157 1.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 2.2066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7209 2.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 2.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 3.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 2.8742 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 4.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 4.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 4.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7188 3.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 2.8750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 4.5242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0126 5.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8372 3.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1395 4.9365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8539 4.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -0.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2749 -0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8446 -1.4964 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0997 -0.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1356 0.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3109 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9165 1.3605 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4941 -1.5379 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7695 -1.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2187 -1.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8885 -2.2626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7132 -2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 21 25 1 0 0 0 0 23 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 27 31 1 0 0 0 0 29 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 14 36 1 0 0 0 0 36 37 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 38 44 1 0 0 0 0 44 45 1 0 0 0 0 41 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 2 0 0 0 0 46 49 1 0 0 0 0 49 50 1 0 0 0 0 26 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 51 57 1 0 0 0 0 57 58 1 0 0 0 0 54 59 1 0 0 0 0 59 60 2 0 0 0 0 59 61 2 0 0 0 0 59 62 1 0 0 0 0 62 63 1 0 0 0 0 20 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 64 70 1 0 0 0 0 70 71 1 0 0 0 0 67 72 1 0 0 0 0 72 73 2 0 0 0 0 72 74 2 0 0 0 0 72 75 1 0 0 0 0 75 76 1 0 0 0 0 M END > DB17219 > drugbank > CNS(=O)(=O)C1=CC=C(F)C(=C1F)C1=C2\CCC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/CC2)=C(\C2=CC=C\1N2)C1=C(F)C(=CC=C1F)S(=O)(=O)NC)C1=C(F)C(=CC=C1F)S(=O)(=O)NC)\C1=C(F)C(=CC=C1F)S(=O)(=O)NC > InChI=1S/C48H38F8N8O8S4/c1-57-73(65,66)33-17-5-21(49)37(45(33)53)41-25-9-11-27(61-25)42(38-22(50)6-18-34(46(38)54)74(67,68)58-2)29-13-15-31(63-29)44(40-24(52)8-20-36(48(40)56)76(71,72)60-4)32-16-14-30(64-32)43(28-12-10-26(41)62-28)39-23(51)7-19-35(47(39)55)75(69,70)59-3/h5-9,11,14,16-20,57-61,64H,10,12-13,15H2,1-4H3/b41-25+,41-26+,42-27+,42-29+,43-28+,43-30+,44-31+,44-32+ > CKRVBMUJCFKRND-ZXWMLXKTSA-N > C48H38F8N8O8S4 > 1135.11 > 1134.156770216 > 10 > 114 > 1.9847286448270687 > 107.24338466863591 > 0 > 6 > 0 > 0 > 2,4-difluoro-N-methyl-3-{7,12,17-tris[2,6-difluoro-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-2-yl}benzene-1-sulfonamide > 4.40 > 6.096463495333333 > -5.80 > 0 > 0 > 9 > -1 > 8.062392447299809 > 7.636425201544465 > 2.558497396808168 > 242.03999999999996 > 263.7757999999999 > 4 > 0 > 1.78e-03 g/l > 2,4-difluoro-N-methyl-3-{7,12,17-tris[2,6-difluoro-3-(methylsulfamoyl)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-2-yl}benzenesulfonamide > 0 > DB17219 > investigational > Redaporfin > 3,3',3'',3'''-(7,8,17,18-tetrahydroporphyrin-5,10,15,20-tetrayl)tetrakis(2,4-difluoro-n-methylbenzenesulfonamide); Benzenesulfonamide, 3,3',3'',3'''-(7,8,17,18-tetrahydro-21h,23h-porphine-5,10,15,20-tetrayl)tetrakis(2,4-difluoro-n-methyl-; Redaporfin $$$$