6450551 -OEChem-12131800593D 46 49 0 0 0 0 0 0 0999 V2000 -3.2724 0.4260 1.8356 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6235 -0.7942 1.1015 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -1.6296 -1.1911 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8616 -1.5157 -1.2808 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1376 -2.0264 -0.1832 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0507 0.7697 0.6552 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0254 -0.1979 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -0.8643 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 -0.6437 -0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 -0.7041 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 0.1744 1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 0.6814 1.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 0.8563 1.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 1.0577 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4897 -0.2216 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1278 0.4064 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5546 2.2394 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6351 -0.6218 -0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7064 0.9347 -1.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 2.7676 -1.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 -0.8302 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2089 2.1153 -1.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9908 -0.1526 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0699 -0.6684 -0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3285 -0.1945 -0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5996 -3.3315 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2904 1.2066 0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4496 0.7610 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -1.2494 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5754 1.2207 1.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 1.5384 2.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0551 -2.2512 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5889 0.5066 0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7223 2.7733 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 -1.3520 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5454 0.4371 -1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7472 3.6878 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6596 2.5269 -2.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3989 -1.9864 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9688 -1.4136 -1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -0.5689 -1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7527 -4.0211 0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3647 -3.6645 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0214 -3.2881 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 1.9513 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4206 1.1447 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 32 1 0 0 0 0 4 9 2 0 0 0 0 5 21 1 0 0 0 0 5 26 1 0 0 0 0 5 39 1 0 0 0 0 6 23 1 0 0 0 0 6 27 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 23 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 28 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > DB06626 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RITAVMQDGBJQJZ-FMIVXFBMSA-N/SDF?record_type=3d > CNC(=O)C1=C(SC2=CC=C3C(NN=C3\C=C\C3=CC=CC=N3)=C2)C=CC=C1 > InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ > RITAVMQDGBJQJZ-FMIVXFBMSA-N > C22H18N4OS > 386.47 > 386.120131908 > 3 > 46 > 42.581139444177964 > 1 > 2 > 0 > 1 > N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide > 4.17 > 4.148864336333333 > -5.85 > 0 > 4 > 0 > 14.232825934497587 > 13.074693773903022 > 4.592516178946188 > 70.67 > 115.136 > 5 > 1 > 5.51e-04 g/l > axitinib > 0 $$$$