5282330 -OEChem-10051722563D 58 66 0 0 0 0 0 0 0999 V2000 -1.9474 -0.1974 0.2363 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 -2.6175 0.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 -2.5985 0.4817 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2445 2.2374 0.3405 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3097 -2.5646 0.7447 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 1.7628 0.1408 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -0.3255 -0.0814 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3916 1.9927 -0.4813 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0008 -0.8057 0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6748 -3.5475 -1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9487 0.6015 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -3.5352 -0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 -1.3331 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1721 -2.9166 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 1.0024 0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1174 -2.8993 0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6469 3.7458 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9148 -0.7776 1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7169 3.6867 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 0.5619 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 2.5084 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6781 -1.3321 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 2.4149 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 0.7664 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1379 -1.4777 1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 -4.0692 -2.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0318 1.3791 1.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 -4.0441 -1.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2435 -0.7003 1.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5651 -4.6018 -3.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1911 0.7095 1.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8729 -4.5899 -3.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 4.8170 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9363 -1.3504 1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 4.6981 -1.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9531 1.4076 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 5.8574 -1.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9943 -0.5146 2.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 5.7987 -2.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0026 0.8503 1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9902 -0.2356 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -2.1516 1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1846 -2.5596 1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4968 -4.0771 -2.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9978 2.4617 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 -4.0342 -1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1612 -1.1881 2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -5.0471 -3.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0694 1.2827 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -5.0270 -3.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 4.8614 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 -2.3978 2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4573 4.6522 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9586 2.4554 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3176 6.7261 -2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8242 -0.9196 2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 6.6228 -2.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8389 1.4755 2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 1 41 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 2 42 1 0 0 0 0 3 13 2 0 0 0 0 3 14 1 0 0 0 0 4 15 2 0 0 0 0 4 21 1 0 0 0 0 5 16 1 0 0 0 0 5 22 2 0 0 0 0 6 21 2 0 0 0 0 6 23 1 0 0 0 0 7 22 1 0 0 0 0 7 24 2 0 0 0 0 8 23 2 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 25 2 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 11 27 2 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 33 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 34 2 0 0 0 0 19 23 1 0 0 0 0 19 35 2 0 0 0 0 20 24 1 0 0 0 0 20 36 2 0 0 0 0 25 29 1 0 0 0 0 25 43 1 0 0 0 0 26 30 2 0 0 0 0 26 44 1 0 0 0 0 27 31 1 0 0 0 0 27 45 1 0 0 0 0 28 32 2 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 32 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 33 37 1 0 0 0 0 33 51 1 0 0 0 0 34 38 1 0 0 0 0 34 52 1 0 0 0 0 35 39 1 0 0 0 0 35 53 1 0 0 0 0 36 40 1 0 0 0 0 36 54 1 0 0 0 0 37 39 2 0 0 0 0 37 55 1 0 0 0 0 38 40 2 0 0 0 0 38 56 1 0 0 0 0 39 57 1 0 0 0 0 40 58 1 0 0 0 0 M END > DB12983 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IEQIEDJGQAUEQZ-UHFFFAOYSA-N/SDF?record_type=3d > N1C2=C3C=CC=CC3=C1\N=C1/N=C(/N=C3\N=C(NC4=N\C(=N/2)C2=CC=CC=C42)C2=CC=CC=C32)C2=CC=CC=C12 > InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40) > IEQIEDJGQAUEQZ-UHFFFAOYSA-N > C32H18N8 > 514.552 > 514.165442612 > 6 > 58 > 57.90102503193994 > 0 > 2 > 0 > 0 > 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28(38),30(37),31,33,35-nonadecaene > 4.79 > 6.4891629779999995 > -4.69 > 0 > 9 > -1 > 13.924703281959545 > 5.516296525037 > 2.5165173401713123 > 108.92 > 155.73139999999998 > 0 > 0 > 1.05e-02 g/l > 29H, 31H-phthalocyanine > 0 $$$$