155587867 -OEChem-09112312073D 70 75 0 0 0 0 0 0 0999 V2000 -5.9755 1.1020 -1.0239 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7702 0.8912 -0.2771 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4088 -0.3599 0.3147 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 0.3552 2.4206 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3844 -1.2714 -0.2472 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5102 -2.6859 -0.1086 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7979 -2.9786 -0.7368 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5411 0.7109 0.0175 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4321 1.6080 -0.9772 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1063 -0.5002 -0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8646 1.3727 0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5993 -0.4366 -0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0973 0.7956 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4726 1.0225 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3573 0.9825 -0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9862 1.1395 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8015 0.6336 -0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4567 0.8186 0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2122 0.3119 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 -0.0760 -1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 -0.7516 0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -0.5549 -1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4502 -0.3013 2.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1797 -1.4821 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 -0.9653 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 -0.0008 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2287 0.2261 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0575 -1.7657 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9718 0.6475 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 0.5719 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 0.0910 1.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3841 0.8637 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1283 0.7826 -1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4438 0.3018 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5123 -3.3712 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3435 0.2343 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1122 1.6975 -1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8468 0.3409 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5561 -0.8900 -1.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9257 -1.1608 0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7883 0.9834 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9041 2.4657 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1107 -1.3462 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7857 -0.3178 -1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5227 1.5143 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8752 0.5414 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3201 0.2610 1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4147 1.9965 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3742 0.0394 -1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4974 1.7760 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8942 0.3154 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9415 2.1014 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0529 1.3705 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2415 -0.2022 -2.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0723 -1.0826 -1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 -0.4146 3.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2246 0.8144 -0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 0.0667 1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 0.0113 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 -1.8745 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1092 0.6787 -1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6748 -0.1772 2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 1.0453 -2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 0.2004 1.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2886 -0.4999 1.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 -4.3415 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7437 2.3710 -1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4157 -0.0909 -0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7409 -0.3924 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3394 1.2402 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 19 2 0 0 0 0 4 23 1 0 0 0 0 5 26 1 0 0 0 0 5 28 1 0 0 0 0 5 60 1 0 0 0 0 6 24 1 0 0 0 0 6 35 2 0 0 0 0 7 28 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 38 1 0 0 0 0 9 37 2 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 20 22 2 0 0 0 0 20 54 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 2 0 0 0 0 25 28 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 33 1 0 0 0 0 30 61 1 0 0 0 0 31 34 2 0 0 0 0 31 62 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 66 1 0 0 0 0 36 65 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 M END > DB18087 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LVMAULGVWBINFP-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=C(C=N1)C1=CC=C(CNC2=CC(=NC=N2)C2=CN=C3C=C(OCCCN4CCCC4)C=CN23)C=C1 > InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33) > LVMAULGVWBINFP-UHFFFAOYSA-N > C29H32N8O > 508.63 > 508.269907682 > 7 > 70 > 3.993358048934172 > 58.95583694888798 > 1 > 1 > 0 > 0 > N-{[4-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-6-{7-[3-(pyrrolidin-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl}pyrimidin-4-amine > 2.9826405323333356 > 1 > 1 > 6 > 1 > 18.461536103996146 > 9.253187572043638 > 85.4 > 163.29059999999993 > 10 > 0 > N-{[4-(1-methylpyrazol-4-yl)phenyl]methyl}-6-{7-[3-(pyrrolidin-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl}pyrimidin-4-amine > 0 $$$$