636391 -OEChem-07282216253D 51 51 0 0 0 0 0 0 0999 V2000 -3.1460 -1.8828 -1.7962 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 -2.3859 1.2756 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7751 1.6331 0.3309 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 0.0821 -0.4802 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0295 2.2452 -0.1992 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -1.2192 -0.1953 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4585 -2.1382 -1.0085 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 2.8501 0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4006 2.4342 -0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0749 2.7111 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 2.5026 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 3.1167 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8222 2.0082 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 3.0167 0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2583 2.0375 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 1.3632 -0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7763 -2.5305 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 -2.4904 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6505 -1.1210 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6452 -2.2378 -0.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0596 -2.7064 1.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9946 -2.2015 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 -2.6697 1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3766 -2.4173 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 3.8897 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 2.2357 1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2872 3.0746 -1.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 1.4088 -0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 1.6722 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2319 3.3383 -0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9523 1.8888 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 3.5343 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9098 2.4705 2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 4.1461 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5674 0.9838 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7384 2.6328 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 3.3242 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 3.6952 -0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3819 1.3935 0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9380 1.6824 -1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5573 3.0540 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 0.0117 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 -3.2535 0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 -2.9146 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9428 3.2255 0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9364 1.9403 -0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 -2.0671 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6849 -2.9019 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 -2.8395 2.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4271 -1.9691 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 -3.0885 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 24 1 0 0 0 0 3 14 1 0 0 0 0 3 16 2 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 4 42 1 0 0 0 0 5 16 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 17 1 0 0 0 0 6 19 2 0 0 0 0 7 19 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 23 2 0 0 0 0 21 48 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 M END > DB16889 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZZQMUJGZCZTLQD-UHFFFAOYSA-N/SDF?record_type=3d > CCCCCCCCNC(=N)NC(=N)NCC1=CC(Cl)=C(Cl)C=C1 > InChI=1S/C17H27Cl2N5/c1-2-3-4-5-6-7-10-22-16(20)24-17(21)23-12-13-8-9-14(18)15(19)11-13/h8-9,11H,2-7,10,12H2,1H3,(H5,20,21,22,23,24) > ZZQMUJGZCZTLQD-UHFFFAOYSA-N > C17H27Cl2N5 > 372.34 > 371.1643513 > 5 > 51 > 1.9963988144799099 > 41.95506664154381 > 1 > 5 > 0 > 1 > 1-{N'-[(3,4-dichlorophenyl)methyl]carbamimidamido}-N-octylmethanimidamide > 3.93 > 5.131940213 > -4.44 > 0 > 2 > 1 > 2 > 11.454721859627243 > 83.78999999999999 > 122.62239999999998 > 9 > 0 > 1.36e-02 g/l > tanshinone I > 0 $$$$