11581936 -OEChem-02232017493D 50 54 0 0 0 0 0 0 0999 V2000 -1.6608 0.8855 -0.4312 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 2.0302 0.0633 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5217 2.3567 -0.0308 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3453 -0.4999 0.4235 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2302 -4.0983 0.0539 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9061 1.1684 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8151 0.0921 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4753 1.0953 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0513 0.6863 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 -1.3260 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6976 1.0792 1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8633 1.0404 -1.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2954 0.9540 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3077 1.0083 0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4734 0.9697 -1.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3864 0.8744 0.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8453 0.7548 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5072 0.4620 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6576 -0.6473 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8203 3.0714 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -2.0022 1.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6014 -2.0401 -1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 1.8993 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9485 1.7442 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8724 0.2712 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2133 -1.9207 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2518 -3.3743 1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 -3.4105 -1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4015 -1.0136 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5706 -2.1107 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0506 0.2779 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 1.1212 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4552 1.0514 -2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 1.0016 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 0.9271 -2.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 1.7956 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 0.0065 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8135 2.6219 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6246 3.6940 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7463 3.6624 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4446 -1.4836 2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7348 -1.5518 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1604 2.8899 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5641 2.6293 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5316 1.1233 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5836 -2.7967 0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1082 -3.9453 2.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3847 -4.0102 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4568 -1.1570 -0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9749 -3.1169 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 6 2 0 0 0 0 4 17 2 0 0 0 0 4 19 1 0 0 0 0 5 27 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 31 1 0 0 0 0 10 21 2 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 15 2 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 25 2 0 0 0 0 19 26 2 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 27 1 0 0 0 0 21 41 1 0 0 0 0 22 28 2 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > DB08387 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AZEXWHKOMMASPA-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1 > InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3 > AZEXWHKOMMASPA-UHFFFAOYSA-N > C25H20N4O > 392.4525 > 392.163711282 > 4 > 50 > 0.0020009269218549965 > 43.897988132787425 > 1 > 0 > 0 > 1 > 2-({4-[1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline > 5.01 > 4.6696628936666675 > -5.42 > 0 > 0 > 5 > 0 > 4.305603042128307 > 52.83 > 127.1798 > 5 > 1 > 1.49e-03 g/l > 2-methoxy-4-vinyl-phenol > 0 $$$$