101643283 -OEChem-10051719503D 65 68 0 0 0 0 0 0 0999 V2000 4.4921 0.2541 -0.8906 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1682 -0.2880 0.6033 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6266 1.8523 -1.2392 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8062 -4.9965 1.4639 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 0.4052 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 -1.1987 -1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9306 0.6445 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1852 -0.0288 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 1.1499 -2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 0.1426 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 -2.1057 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9615 2.0987 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1754 0.6568 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4719 -1.6724 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 0.3002 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7687 -2.0962 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 -1.1506 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8734 2.0881 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3451 -2.6353 1.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 1.2755 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 -3.5301 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 -1.4741 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6373 0.8730 -0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 -4.0881 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8997 -0.5174 -1.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1844 -4.4718 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 2.6487 1.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 2.8729 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 3.9941 2.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 4.2182 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 4.7788 1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5438 1.4634 0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 -0.1410 1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 -1.4716 -1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2655 0.0393 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 0.4611 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 -1.2475 -2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8091 0.5471 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 -1.0796 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 0.6671 -2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 2.1214 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8678 1.2611 -2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5089 -0.4063 1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 1.1837 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4123 2.2974 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2749 -2.1156 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9503 -3.1356 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0020 2.3737 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9724 -1.9300 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6243 2.7900 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 -2.4205 1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3084 2.3287 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8837 -3.8767 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2639 -2.4932 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -0.7835 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3975 -5.5244 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5626 2.0493 2.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1143 2.4500 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2972 2.5594 -1.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4871 1.4488 -1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 2.3520 -0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 4.4305 3.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 4.8290 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0847 5.8263 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 -5.9358 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 23 1 0 0 0 0 3 59 1 0 0 0 0 3 60 1 0 0 0 0 3 61 1 0 0 0 0 4 24 2 0 0 0 0 4 65 1 0 0 0 0 5 8 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 11 1 0 0 0 0 6 34 1 0 0 0 0 6 37 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 11 49 1 0 0 0 0 12 45 1 0 0 0 0 12 48 1 0 0 0 0 12 50 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 24 1 0 0 0 0 19 51 1 0 0 0 0 20 23 2 0 0 0 0 20 52 1 0 0 0 0 21 26 2 0 0 0 0 21 53 1 0 0 0 0 22 25 2 0 0 0 0 22 54 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 28 58 1 0 0 0 0 29 31 2 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 M CHG 2 1 1 3 1 M END > DB02166 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZDWVWKDAWBGPDN-UHFFFAOYSA-O/SDF?record_type=3d > CC[N+](C)(CC)CCC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2 > InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1 > ZDWVWKDAWBGPDN-UHFFFAOYSA-O > C27H34N4 > 414.5857 > 414.278347108 > 2 > 65 > 2.0002980615743167 > 49.5998772024847 > 1 > 2 > 2 > 0 > 3,8-diamino-5-{3-[diethyl(methyl)azaniumyl]propyl}-6-phenylphenanthridin-5-ium > 1.56 > -4.6401822019434915 > -8.83 > 1 > 2 > 4 > 2 > 3.481564629777453 > 55.92 > 145.5442 > 7 > 1 > 7.13e-07 g/l > biotin > 0 $$$$