46191477 -OEChem-09262317343D 73 75 0 1 0 0 0 0 0999 V2000 5.6165 -1.7061 -0.2367 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 -0.4778 -0.2589 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1333 0.3338 0.8248 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4836 1.1815 -0.2391 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3391 1.0163 -0.1681 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0096 0.4925 0.7522 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6571 -1.8986 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6299 0.2063 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7347 0.2968 -1.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3615 -0.5156 0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6358 -1.8544 -1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2325 -0.5682 1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4274 1.7080 -0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9433 -0.7228 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7516 0.5069 0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0509 -0.4515 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 1.6351 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -0.2816 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 1.8048 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0271 0.8465 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4688 0.6613 0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9313 1.8899 -1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1063 1.0070 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8259 -0.7564 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2112 0.9105 -1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6393 0.9318 1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4132 3.3152 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3822 0.6639 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8776 -1.0137 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1055 -1.8145 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8491 0.7388 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2774 0.7603 1.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2090 -2.3291 -0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4366 -3.1298 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4885 -3.3871 -0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7302 -2.3644 -1.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0255 -2.4903 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3142 0.3345 -0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3777 1.2066 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4665 0.3719 -2.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8577 -0.2285 -1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4772 0.3933 1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6097 -1.3681 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6074 -1.4217 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8530 -2.8908 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2422 -1.3893 -2.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5645 -0.7004 2.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 -1.5401 1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0924 -0.0028 1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9942 1.8433 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3275 2.3327 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7286 2.1591 -1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5501 1.0699 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4929 -1.3495 -0.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6243 2.3895 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1501 -1.0329 -0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 2.6875 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3802 1.2741 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1906 0.7266 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6345 1.3733 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0270 1.9305 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5351 0.9401 -2.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2824 1.0363 2.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8445 3.8776 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3259 3.3759 -1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6949 3.8257 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4482 -0.1997 -0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2874 -1.6312 1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1889 0.6430 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 0.7108 2.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0279 -2.5296 -1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8765 -3.9537 0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7465 -4.4113 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 53 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 28 1 0 0 0 0 7 11 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 12 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 13 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 14 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 17 19 2 0 0 0 0 17 55 1 0 0 0 0 18 20 2 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 27 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 25 62 1 0 0 0 0 26 32 2 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 29 67 1 0 0 0 0 30 34 2 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 33 35 2 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 M CHG 1 2 1 M END > DB18465 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XJSTVCBWJAUVAR-UHFFFAOYSA-O/SDF?record_type=3d > CCN(CC1=CC=CC=C1)C1=CC=C(C=C1)\N=N\C1=CC=C(NC(=O)C[N+](CC)(CC)CC)C=C1 > InChI=1S/C29H37N5O/c1-5-33(22-24-12-10-9-11-13-24)28-20-18-27(19-21-28)32-31-26-16-14-25(15-17-26)30-29(35)23-34(6-2,7-3)8-4/h9-21H,5-8,22-23H2,1-4H3/p+1 > XJSTVCBWJAUVAR-UHFFFAOYSA-O > C29H38N5O > 472.656 > 472.307087284 > 4 > 73 > 2.5936860117500555 > 55.451323740791906 > 1 > 1 > 1 > 0 > [({4-[(1E)-2-{4-[benzyl(ethyl)amino]phenyl}diazen-1-yl]phenyl}carbamoyl)methyl]triethylazanium > 2.60576052319492 > 1 > 1 > 3 > 1 > 11.753979470271847 > 2.986678702917164 > 57.06 > 162.6182 > 12 > 1 > [({4-[(1E)-2-{4-[benzyl(ethyl)amino]phenyl}diazen-1-yl]phenyl}carbamoyl)methyl]triethylazanium > 0 $$$$