4369379 -OEChem-10051719463D 62 67 0 1 0 0 0 0 0999 V2000 2.4286 2.0697 -0.2982 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 2.9061 -0.1573 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 2.6719 0.0544 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 2.3467 0.0744 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -3.8543 -1.5396 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 1.4947 0.0410 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3703 1.3557 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7909 3.4538 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 3.5251 -1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 0.8650 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0702 1.7341 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 -0.6312 0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 0.4303 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9915 -1.4184 1.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7389 -1.2077 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6557 0.0992 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5592 1.0864 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0325 -2.8064 1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7799 -2.5956 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 0.8651 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0642 -1.2505 -0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9267 -3.3949 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5836 0.4440 1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7676 1.0721 -1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9691 0.2245 1.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7618 0.4353 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -2.2109 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3547 -1.5880 -2.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1455 0.8592 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5852 -0.1990 2.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1472 0.2157 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 -3.4874 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 -2.8925 -2.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9630 -0.4123 2.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7424 -0.2055 1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8742 0.9901 -0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 0.2963 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2883 1.7604 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6557 4.0900 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1414 3.8429 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 3.0377 -2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5191 4.5748 -1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 2.9780 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5788 1.1427 2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8148 1.2477 0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 -0.3114 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2973 -0.9737 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4063 -0.5949 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3696 -3.4288 2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 -3.0540 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 -4.4755 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9685 0.2841 1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 1.4007 -2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9474 -1.9849 1.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2866 -0.8656 -3.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7351 1.0273 -2.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9956 -0.3673 3.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7760 0.3712 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6556 -4.2738 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9785 -3.2078 -3.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4271 -0.7401 3.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8150 -0.3718 1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 11 2 0 0 0 0 4 17 2 0 0 0 0 5 32 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 46 1 0 0 0 0 14 18 1 0 0 0 0 14 47 1 0 0 0 0 15 19 2 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 18 22 2 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 24 29 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 29 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 27 54 1 0 0 0 0 28 33 2 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 34 1 0 0 0 0 30 57 1 0 0 0 0 31 35 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 34 35 2 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 M END > DB01988 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WFSFNKVFXLIZIY-MHZLTWQESA-N/SDF?record_type=3d > C([C@H]1CN(CCN1)C1=NN=C(C2=CC3=CC=CC=C3C=C2)C(=C1)C1=CC=NC=C1)C1=CC=CC=C1 > InChI=1S/C30H27N5/c1-2-6-22(7-3-1)18-27-21-35(17-16-32-27)29-20-28(24-12-14-31-15-13-24)30(34-33-29)26-11-10-23-8-4-5-9-25(23)19-26/h1-15,19-20,27,32H,16-18,21H2/t27-/m0/s1 > WFSFNKVFXLIZIY-MHZLTWQESA-N > C30H27N5 > 457.5689 > 457.226645889 > 5 > 62 > 0.9896930317615248 > 52.093883377481156 > 1 > 1 > 0 > 0 > 6-[(3S)-3-benzylpiperazin-1-yl]-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine > 4.75 > 5.4673832393333335 > -5.47 > 0 > 1 > 6 > 1 > 8.86702393201888 > 53.94 > 142.4934 > 5 > 0 > 1.57e-03 g/l > tetrahydrofolic acid > 0 $$$$