122262 -OEChem-01041817223D 69 74 0 0 0 0 0 0 0999 V2000 -7.4578 4.9057 0.7856 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.3180 0.4757 -2.0371 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2288 -2.5514 0.5903 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 -2.2527 0.8047 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6227 -1.1930 -0.1736 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 -0.1916 0.5259 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3433 0.3928 -1.3581 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7427 3.0597 0.4702 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 -2.6632 1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 -3.5391 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -3.3727 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -1.7480 -0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0979 -1.9492 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4688 -2.4523 1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1339 -1.4139 -0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -1.6699 -1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5472 -1.8790 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1231 -1.1157 1.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 -0.0427 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8510 -0.6416 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9706 0.8721 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2328 0.6866 -0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2499 0.7741 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7557 -1.4248 -1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6155 2.0952 1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4913 1.1632 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1054 1.8957 -0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3684 1.5183 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6609 -0.4253 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9646 -0.8708 -1.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 3.1370 1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8413 2.4697 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 1.7729 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7441 2.8209 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9160 -0.5202 -1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9821 3.2969 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7638 0.5806 -1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -1.6717 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8483 -3.2515 2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -4.0971 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -4.1558 1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3874 -4.3799 -0.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 -2.9086 -0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -2.1796 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 -0.7340 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 -0.9404 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0743 -2.5495 2.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -2.9747 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 -3.0750 2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1305 -1.2074 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7022 -1.9032 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6918 -0.9881 -2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0066 -2.6576 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9635 -2.8898 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1444 -1.3504 1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6164 -0.6643 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1639 -1.3020 1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 0.5159 -1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 0.5263 0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5242 -2.4499 -1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6535 2.2307 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3921 1.1756 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0186 -1.3022 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6902 -1.4460 -2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2817 4.0969 1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8099 2.8529 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0273 2.6301 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 3.4501 1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2168 -1.4554 -1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 37 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 26 2 0 0 0 0 7 30 1 0 0 0 0 8 27 2 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 16 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 19 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 23 27 1 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 24 60 1 0 0 0 0 25 31 2 0 0 0 0 25 61 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 2 0 0 0 0 28 62 1 0 0 0 0 29 35 2 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 32 36 2 0 0 0 0 32 66 1 0 0 0 0 33 37 2 0 0 0 0 33 67 1 0 0 0 0 34 36 1 0 0 0 0 34 68 1 0 0 0 0 35 37 1 0 0 0 0 35 69 1 0 0 0 0 M END > DB13941 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UCRHFBCYFMIWHC-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC2=C(C=C1)C(=CC=N2)N1CCN(CCCN2CCN(CC2)C2=CC=NC3=C2C=CC(Cl)=C3)CC1 > InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2 > UCRHFBCYFMIWHC-UHFFFAOYSA-N > C29H32Cl2N6 > 535.52 > 534.2065505 > 6 > 69 > 59.55954399201663 > 0 > 0 > 0 > 0 > 7-chloro-4-(4-{3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl}piperazin-1-yl)quinoline > 5.53 > 5.268651966333335 > -4.51 > 1 > 6 > 3 > 8.474282665831243 > 38.74000000000001 > 153.42199999999997 > 6 > 0 > 1.67e-02 g/l > piperaquine > 1 $$$$