11610553 -OEChem-10051721193D 47 51 0 0 0 0 0 0 0999 V2000 -1.4481 0.9154 -0.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7536 2.5365 -0.0078 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0908 2.4419 0.0878 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 -0.5371 0.4211 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -3.8008 0.0453 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1163 1.3308 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6813 1.2242 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 0.3814 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8898 -1.0343 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9025 1.1866 1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 1.1579 -1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 1.0169 -0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 0.7291 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 0.8834 0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2834 0.3730 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 1.0825 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6847 1.0540 -1.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 1.1232 0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4072 -0.7158 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4087 1.8555 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7561 1.6683 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6995 -1.7141 1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8675 -1.7416 -1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6431 0.1498 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9316 -2.0022 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1407 -1.1473 -0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2836 -2.2244 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 -3.0832 1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6538 -3.1095 -1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 1.2369 2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 1.1853 -2.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 3.4610 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8691 0.0211 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0231 1.8071 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 1.0603 1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2142 1.0025 -2.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3158 0.7611 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9968 2.8562 0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3929 2.5385 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7088 -1.2006 2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0107 -1.2501 -2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3227 0.9861 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2809 -2.8629 0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1919 -1.3159 -0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6632 -3.2398 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 -3.6570 2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 -3.7042 -2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 32 1 0 0 0 0 3 18 2 0 0 0 0 4 13 2 0 0 0 0 4 19 1 0 0 0 0 5 28 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 22 2 0 0 0 0 9 23 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 17 2 0 0 0 0 11 31 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 15 24 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 25 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 28 1 0 0 0 0 22 40 1 0 0 0 0 23 29 2 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M END > DB08386 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VRWJZGHUCOFGPZ-UHFFFAOYSA-N/SDF?record_type=3d > C(OC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1)C1=CC=C2C=CC=CC2=N1 > InChI=1S/C24H18N4O/c1-2-4-23-18(3-1)5-8-20(27-23)16-29-21-9-6-19(7-10-21)24-22(15-26-28-24)17-11-13-25-14-12-17/h1-15H,16H2,(H,26,28) > VRWJZGHUCOFGPZ-UHFFFAOYSA-N > C24H18N4O > 378.4259 > 378.148061218 > 4 > 47 > 0.00205632659046288 > 41.347546901951404 > 1 > 1 > 0 > 1 > 2-({4-[4-(pyridin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline > 4.70 > 4.545986828 > -5.17 > 0 > 0 > 5 > 0 > 14.980507716464487 > 4.319825683786685 > 63.69 > 111.96379999999999 > 5 > 1 > 2.58e-03 g/l > biotin > 0 $$$$