71451950 -OEChem-10051722553D 63 66 0 0 0 0 0 0 0999 V2000 -6.3748 -3.4437 0.5786 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3230 -1.6942 0.2278 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6769 0.9156 -0.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1245 -1.6857 -1.1186 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6561 2.5373 -0.5826 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 -0.0018 0.3477 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 0.3706 -1.3745 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 0.2425 -0.4704 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1105 -0.4436 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1836 -0.3418 0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8138 -0.2063 1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 0.8227 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -1.0506 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5551 0.5525 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 -1.2592 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 -0.0565 1.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3101 0.5976 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.1455 -1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 -0.0285 0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 0.5853 -1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8444 1.9267 0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4074 0.5422 0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 -0.4616 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 1.6574 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4919 -0.4045 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 2.7827 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6725 2.6150 1.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6444 0.1656 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -1.7563 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9645 -1.1900 1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0521 -2.1438 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6765 -1.1720 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 0.6783 1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -1.0639 1.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5733 1.2049 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7889 1.6146 -0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 -0.3949 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 -2.0120 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 -2.0295 0.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3244 -1.6569 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7964 1.5041 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1758 -0.1264 1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 0.3151 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1413 0.9222 2.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3266 -0.8109 2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 1.6229 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1294 -1.0511 -2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 0.6097 -2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9501 -1.0171 0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 0.2750 1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8187 1.3331 -1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9829 -0.3883 -1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 -2.2765 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 1.3746 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2086 3.7632 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6864 2.9487 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7635 2.3081 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1896 3.5925 1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 2.0202 2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6367 2.7725 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3518 0.9049 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1361 -2.5294 -0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9257 -1.5096 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 10 1 0 0 0 0 2 53 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 23 2 0 0 0 0 5 24 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 7 54 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 25 2 0 0 0 0 22 28 1 0 0 0 0 25 29 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 30 2 0 0 0 0 28 61 1 0 0 0 0 29 31 2 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 M END > DB12949 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AGMOFKKOVMRGAK-UHFFFAOYSA-N/SDF?record_type=3d > CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)C2=CC(F)=CC=C12 > InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29) > AGMOFKKOVMRGAK-UHFFFAOYSA-N > C23H32FN3O4 > 433.524 > 433.237684685 > 5 > 63 > 46.466495303230985 > 1 > 2 > 0 > 1 > 6-fluoro-N-({1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl}methyl)-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indole-1-carboxamide > 1.88 > 1.5151412179999992 > -3.85 > 0 > 4 > 1 > 15.450354662354087 > 14.233867477142827 > 9.617426900965802 > 82.11000000000001 > 115.16179999999997 > 4 > 1 > 6.18e-02 g/l > 6-fluoro-N-({1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl}methyl)-3,3-dimethyl-2-oxoindole-1-carboxamide > 0 $$$$