HMDB0248507 RDKit 3D Isopropyl 4-(1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidi... 57 60 0 0 0 0 0 0 0 0999 V2000 -8.6499 -1.1970 -0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1225 0.1284 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6475 0.2716 1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7086 0.0662 0.0743 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 0.9166 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5079 1.7544 -1.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5065 0.8213 -0.6181 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8943 -0.1564 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 -0.8486 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 0.2660 -0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 -0.3197 -1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5966 -0.5136 -1.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2253 -1.2999 -2.2907 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 -1.5269 -2.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 -1.0185 -1.3423 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 -0.2482 -0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 0.0090 -0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2556 0.8184 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4451 1.0423 1.3248 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 0.3905 0.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 0.3453 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 -0.8464 1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7856 -0.8832 1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 0.2883 1.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2022 0.2118 1.8910 S 0 0 0 0 0 6 0 0 0 0 0 0 10.1157 0.1198 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4585 -1.0164 2.7154 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6509 1.4318 2.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8448 1.4987 1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 1.5085 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8854 2.6916 0.8711 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4268 1.1909 -1.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7341 1.7320 -1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2625 -2.0327 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2849 -1.2726 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7468 -1.1450 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4956 0.9083 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8127 -0.7642 1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8427 0.7355 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5418 0.8950 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6306 -0.9341 0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 0.2775 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2615 -1.1177 -1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3416 -1.6749 -0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6799 0.8926 0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 -2.1572 -3.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 1.2233 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8744 -1.7668 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2240 -1.8626 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0873 -0.3933 0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5571 -0.5337 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2896 1.1343 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4044 2.4204 1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 2.0422 -2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 0.7015 -2.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3268 2.0071 -2.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6183 2.6816 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 25 28 2 0 24 29 1 0 29 30 2 0 30 31 1 0 10 32 1 0 32 33 1 0 33 7 1 0 17 12 1 0 30 21 1 0 20 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 14 46 1 0 18 47 1 0 22 48 1 0 23 49 1 0 26 50 1 0 26 51 1 0 26 52 1 0 29 53 1 0 32 54 1 0 32 55 1 0 33 56 1 0 33 57 1 0 M END