2993 -OEChem-10051720303D 74 77 0 0 0 0 0 0 0999 V2000 6.9190 -0.5312 0.6500 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.8995 -0.4892 -0.6655 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6087 -0.5436 -1.2485 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5758 -0.7075 1.2462 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5659 -0.7320 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 -0.6609 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -0.7220 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 -0.7077 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 -0.7192 0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 -0.5911 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4689 -0.6843 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4426 -0.5356 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6051 -0.6002 1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5865 -0.4850 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4475 0.6635 0.3234 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4809 0.6734 -0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -1.6948 0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4543 -1.6845 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7023 0.7031 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7331 0.6430 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7610 -1.7149 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6810 -1.7733 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3508 -0.5078 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3240 -0.6015 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7659 1.8479 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8558 1.8934 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8799 -2.9805 0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7485 -2.9312 -0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2503 1.9502 -0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3365 1.8569 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3257 3.0774 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4699 3.0892 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5639 3.1289 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7063 3.0714 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 0.1171 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -1.6417 1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4384 -1.4970 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4365 0.2641 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 0.1642 -0.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 -1.5971 -0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 0.1136 0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0468 -1.6442 0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 0.1535 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 -1.6118 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8766 0.3111 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9733 -1.4459 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5859 -1.5566 -0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5214 0.1854 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5017 0.3480 0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5678 -1.3893 0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 0.2355 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -1.4546 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5203 -1.3254 -2.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 0.3673 -2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2603 -2.6563 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1355 -2.7404 0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7884 1.8946 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 1.9938 -1.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8956 -3.1069 1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 -3.0830 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4328 -3.8328 0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7687 -3.0402 -1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7235 -2.9910 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2559 -3.8156 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2096 2.0495 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2969 1.9025 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7937 3.9980 0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9821 4.0374 -0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9949 4.0895 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1798 4.0059 0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0452 -1.4383 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0892 0.2971 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9698 -1.6246 1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0931 0.1046 1.5470 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 17 2 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 2 18 2 0 0 0 0 3 23 1 0 0 0 0 3 71 1 0 0 0 0 3 72 1 0 0 0 0 4 24 1 0 0 0 0 4 73 1 0 0 0 0 4 74 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 8 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 10 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 19 1 0 0 0 0 15 25 2 0 0 0 0 16 20 1 0 0 0 0 16 26 2 0 0 0 0 17 21 1 0 0 0 0 17 27 1 0 0 0 0 18 22 1 0 0 0 0 18 28 1 0 0 0 0 19 23 1 0 0 0 0 19 29 2 0 0 0 0 20 24 1 0 0 0 0 20 30 2 0 0 0 0 21 23 2 0 0 0 0 21 55 1 0 0 0 0 22 24 2 0 0 0 0 22 56 1 0 0 0 0 25 31 1 0 0 0 0 25 57 1 0 0 0 0 26 32 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 33 1 0 0 0 0 29 65 1 0 0 0 0 30 34 1 0 0 0 0 30 66 1 0 0 0 0 31 33 2 0 0 0 0 31 67 1 0 0 0 0 32 34 2 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 M CHG 2 1 1 2 1 M END > DB04209 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PCSWXVJAIHCTMO-UHFFFAOYSA-P/SDF?record_type=3d > CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2 > InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2 > PCSWXVJAIHCTMO-UHFFFAOYSA-P > C30H40N4 > 456.6654 > 456.3252973 > 2 > 74 > 2.0000000577157526 > 56.75758228328332 > 1 > 2 > 2 > 0 > 4-amino-1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium > 0.16 > -3.5914346982768235 > -9.04 > 1 > 2 > 4 > 2 > -0.3356156314203048 > 59.8 > 146.99819999999994 > 11 > 1 > 4.77e-07 g/l > tetrahydrofolic acid > 0 $$$$