135565042 -OEChem-05201910353D 56 59 0 0 0 0 0 0 0999 V2000 3.1302 1.6242 0.2502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0766 -0.0640 -2.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4385 -1.0030 0.2569 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3497 0.1701 -0.0823 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0136 -0.0818 -0.1152 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4820 -0.4871 0.4568 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3528 -1.4400 -0.4821 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 -1.4044 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2656 -0.1503 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 -0.2373 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 0.9922 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9577 0.5064 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8806 -0.9660 -2.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7844 -1.8418 2.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -2.6217 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 0.4728 -1.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7777 1.4125 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 2.4524 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4425 2.1962 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 0.9169 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 0.5604 0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 0.0817 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0289 0.6992 1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -0.1191 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1701 -0.2581 -1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3814 0.3596 1.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3442 -0.4697 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3082 0.1245 0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0447 -1.4248 -0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -0.6001 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7028 1.7500 -0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0436 1.5267 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6848 0.4821 1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 -0.1528 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0835 -0.5313 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9995 1.0798 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6205 1.1285 -2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3029 -1.0246 2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9636 -2.1658 3.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4866 -2.6800 2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.0318 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8605 -1.3513 -2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9490 -0.3492 -3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 -1.8192 -2.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 -2.3821 -0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2594 -3.4246 0.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4077 -0.2979 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2879 3.4417 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1491 2.9910 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6029 1.0620 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6064 -0.6250 -2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9575 0.4667 2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6443 -0.4079 -2.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2832 0.9138 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6638 -2.1157 -1.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4048 -0.3036 0.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 22 1 0 0 0 0 2 53 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 17 2 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 56 1 0 0 0 0 7 29 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 34 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 M END > DB14918 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/STWTUEAWRAIWJG-UHFFFAOYSA-N/SDF?record_type=3d > CC1(C)CC(CC(C)(C)N1)OC1=NN=C(C=C1)C1=C(O)C=C(C=C1)C1=CNN=C1 > InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24) > STWTUEAWRAIWJG-UHFFFAOYSA-N > C22H27N5O2 > 393.491 > 393.216475129 > 6 > 56 > 43.80912190804116 > 1 > 3 > 0 > 1 > 5-(1H-pyrazol-4-yl)-2-{6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]pyridazin-3-yl}phenol > 3.49 > 1.7992881436417179 > -4.33 > 0 > 4 > 1 > 14.574620414104135 > 8.124984228382026 > 10.18863644314436 > 95.95 > 114.38019999999999 > 4 > 1 > 1.83e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$