25019940 -OEChem-10051722463D 70 76 0 1 0 0 0 0 0999 V2000 -1.0931 2.2169 2.7816 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 5.2804 -0.2403 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -2.6315 -1.5451 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 1.6902 1.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3744 -1.1770 -0.5662 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3592 -0.9781 0.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 -0.4380 -0.8023 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1284 0.4646 1.9066 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7741 0.5600 -2.0367 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9591 -1.1149 1.6432 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4521 -2.1005 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2788 -3.3660 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6414 -2.5199 1.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3923 -4.5473 0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2626 -3.9727 1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5156 -1.7537 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7225 0.6765 -0.1166 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6331 0.2250 1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8548 -0.0700 -0.0266 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5478 -0.8959 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8233 0.8016 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0867 -0.0891 -1.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6403 -0.0732 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 0.8777 -1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0976 -0.9049 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 1.7666 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9576 0.8295 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8055 -0.5563 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2673 -0.1970 -0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6609 -0.3210 -1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 1.7247 -2.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 0.6588 -1.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5957 -1.9061 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 3.0484 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 1.4855 1.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 1.6134 -2.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7911 -2.5176 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 2.4863 1.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 4.0491 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4244 -2.0927 0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 3.7682 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6042 -3.4453 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1841 -3.3929 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2576 -2.4718 2.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 -1.9110 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9857 -5.0529 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9717 -5.2896 1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 -4.0215 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 -4.5330 2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0135 -1.2134 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3769 1.0987 -0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 0.0590 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3546 1.0226 1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 -1.8888 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 -0.9994 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3299 0.3249 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 1.7983 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -0.7303 -2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2486 0.9438 -2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 0.8799 2.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 -0.9602 -0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 2.4577 -3.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0769 -2.2120 -1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5804 3.2830 -0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7693 0.4910 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 2.2758 -3.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 1.2126 -2.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2207 -3.3081 -0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 -2.5489 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3942 4.5473 1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 39 1 0 0 0 0 3 16 2 0 0 0 0 4 27 2 0 0 0 0 5 30 2 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 50 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 60 1 0 0 0 0 9 30 1 0 0 0 0 9 32 1 0 0 0 0 9 67 1 0 0 0 0 10 28 1 0 0 0 0 10 40 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 19 27 1 0 0 0 0 20 23 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 24 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 30 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 31 1 0 0 0 0 25 28 2 0 0 0 0 25 33 1 0 0 0 0 26 34 2 0 0 0 0 26 35 1 0 0 0 0 29 32 2 0 0 0 0 29 61 1 0 0 0 0 31 36 2 0 0 0 0 31 62 1 0 0 0 0 32 36 1 0 0 0 0 33 37 2 0 0 0 0 33 63 1 0 0 0 0 34 39 1 0 0 0 0 34 64 1 0 0 0 0 35 38 2 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 37 40 1 0 0 0 0 37 68 1 0 0 0 0 38 41 1 0 0 0 0 39 41 2 0 0 0 0 40 69 1 0 0 0 0 41 70 1 0 0 0 0 M END > DB12424 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AZAANWYREOQRFB-SETSBSEESA-N/SDF?record_type=3d > FC1=CC(=CC(F)=C1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)NC1=CC=C2C[C@]3(CC2=C1)C(=O)NC1=C3C=CC=N1 > InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1 > AZAANWYREOQRFB-SETSBSEESA-N > C31H29F2N5O3 > 557.602 > 557.22384614 > 5 > 70 > 56.10728680487131 > 1 > 3 > 0 > 0 > 2-[(8R)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-6-yl]acetamide > 2.85 > 4.076857206333333 > -4.60 > 0 > 7 > 0 > 13.421613148809154 > 11.737793088606415 > 6.6828891610261145 > 103.43 > 150.04809999999986 > 4 > 0 > 1.41e-02 g/l > 2-[(8R)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxo-1,3-dihydro-1'H-spiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-6-yl]acetamide > 0 $$$$