46216796 -OEChem-01132015163D 67 71 0 0 0 0 0 0 0999 V2000 -3.6203 1.4715 1.3344 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2548 -1.1106 0.5955 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 -3.4971 -0.9857 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -0.1415 -0.0964 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 3.3439 -0.3792 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 1.5421 -0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 3.6692 -0.9925 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5512 -1.1286 -0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1154 0.1617 -1.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0666 -2.0558 -1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1203 -1.2089 -2.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8749 1.0448 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 2.0604 0.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3851 1.8860 0.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2784 1.0323 0.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2429 3.1847 0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 1.5008 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4358 -0.3721 1.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 2.8076 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 3.6379 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -2.4658 1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6659 2.8213 -0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 -0.3281 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 -2.6153 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2207 1.0819 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3922 -1.2655 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -3.5752 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6937 -0.7943 0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 -3.4022 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8322 -3.0380 0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 1.9007 -0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8863 -2.1314 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5029 -4.0906 -1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 -3.1147 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8515 3.1889 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5028 -0.6679 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7010 -1.6673 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1262 0.6191 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8571 0.8094 -1.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9014 -2.4434 -1.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5255 -2.9126 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 -1.6514 -2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4488 -1.1515 -3.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1152 0.7478 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7702 1.5112 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0678 2.9238 1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 2.4130 -0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0633 3.8957 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 0.8156 0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9013 -0.3446 2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -0.8595 1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 4.6620 -0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3118 4.3126 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4258 -2.7808 0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 -2.5426 2.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4035 -0.9510 -0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 -3.3106 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 -4.6065 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5434 -0.1207 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9997 -4.0719 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4112 -4.4019 0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8631 -2.4628 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2396 1.5704 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 -4.3159 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -5.0394 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5126 -2.1291 -0.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5747 3.8940 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 27 1 0 0 0 0 3 33 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 5 53 1 0 0 0 0 6 22 1 0 0 0 0 6 25 2 0 0 0 0 7 22 2 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 20 2 0 0 0 0 16 48 1 0 0 0 0 17 19 2 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 20 52 1 0 0 0 0 21 29 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 28 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 32 1 0 0 0 0 28 59 1 0 0 0 0 29 34 2 0 0 0 0 29 61 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 35 2 0 0 0 0 31 63 1 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > DB11697 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HWXVIOGONBBTBY-ONEGZZNKSA-N/SDF?record_type=3d > C(CN1CCCC1)OC1=CC=C2NC3=NC=CC(=N3)C3=CC(COC\C=C\COCC1=C2)=CC=C3 > InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+ > HWXVIOGONBBTBY-ONEGZZNKSA-N > C28H32N4O3 > 472.589 > 472.247440906 > 7 > 67 > 0.9864454758567004 > 52.321591302384874 > 1 > 1 > 0 > 0 > (16E)-11-[2-(pyrrolidin-1-yl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.1^{2,6}.1^{8,12}]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene > 4.78 > 4.575537867000001 > -4.09 > 0 > 1 > 5 > 1 > 14.096381834345566 > 8.85704273495768 > 68.74 > 139.42579999999998 > 4 > 1 > 3.81e-02 g/l > incyclinide > 0 $$$$