3749 -OEChem-10051719283D 60 64 0 0 0 0 0 0 0999 V2000 -2.8657 -2.3022 -1.6205 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7323 -0.0407 0.9757 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5174 -0.1004 -0.9194 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9573 -0.3878 2.4133 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 1.7149 1.7173 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3752 0.5728 3.1448 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6266 1.8344 2.7687 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8562 -1.4076 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3502 -2.4446 1.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3276 -1.7338 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6049 -3.1571 1.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5249 -3.1341 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0232 -1.3695 -0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9638 0.5930 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 2.0239 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 0.3847 -1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6198 2.9575 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 0.1677 -1.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 4.4341 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -1.0551 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 1.1916 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3813 5.3393 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -1.2567 -0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0604 0.9901 -1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4871 -0.2342 -1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8865 -0.4436 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4203 -0.1497 0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7155 -0.9546 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 -0.3654 0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 -1.1702 -1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 0.3788 1.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5997 -0.8757 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -2.0012 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6852 -3.1727 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9897 -1.0333 0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5893 -1.7007 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 -4.1732 2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0547 -2.5983 2.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5675 -3.3306 0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2092 -3.8867 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5892 2.2329 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5181 2.2054 1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8639 1.4424 -2.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8895 -0.1631 -2.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6054 2.7296 0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7033 2.7704 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1884 4.6230 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3362 4.6826 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4617 -1.8814 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 2.1496 -2.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1284 6.3892 -0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4946 5.1950 -1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3453 5.1365 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 -2.2181 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 1.7980 -1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3218 -1.1908 -2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2054 -0.1411 1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7123 -1.5675 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6544 -1.0436 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7783 0.3576 3.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 8 1 0 0 0 0 2 14 2 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 31 2 0 0 0 0 5 7 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 60 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 21 24 2 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 32 59 1 0 0 0 0 M END > DB01029 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YOSHYTLCDANDAN-UHFFFAOYSA-N/SDF?record_type=3d > CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1 > InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) > YOSHYTLCDANDAN-UHFFFAOYSA-N > C25H28N6O > 428.5294 > 428.232459548 > 5 > 60 > -0.9326640083176363 > 47.61148567648005 > 1 > 1 > 0 > 0 > 2-butyl-3-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one > 4.51 > 5.3926129305083155 > -4.69 > 1 > -1 > 5 > -1 > 5.849455602753198 > 4.11617683708634 > 87.13000000000001 > 136.71609999999998 > 7 > 0 > 8.84e-03 g/l > biotin > 0 $$$$