25208163 -OEChem-10032318483D 66 70 0 0 0 0 0 0 0999 V2000 -8.0237 4.2370 0.0077 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0865 -1.8455 0.0349 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9579 -0.7218 0.7016 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3711 -1.4440 0.3344 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5572 1.9923 0.9999 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9306 -0.2592 0.9643 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3962 -0.7948 -0.5299 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 -0.6201 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6391 -0.8421 1.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 -1.6342 -0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1682 -0.8379 1.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7418 -1.6045 -1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5043 -1.8637 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8275 -0.0796 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2955 -2.6941 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 -2.7626 0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7351 1.4382 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -0.5633 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8343 2.1655 -1.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8181 -1.2749 -1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7052 -1.2001 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7456 3.5506 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1356 -1.7022 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2332 0.0981 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4754 3.3411 1.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2090 -0.6910 1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5627 4.1574 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8513 -1.4087 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5207 -2.2859 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6026 0.2572 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4339 1.2185 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8477 -2.0312 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1264 1.5470 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 2.4971 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3319 2.6611 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 0.3869 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 -0.0574 2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 -1.7994 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 -2.6465 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -1.4386 -1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 -1.0392 1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1056 0.1657 0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4887 -0.6420 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5573 -2.3861 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8982 -0.8458 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6382 -2.3470 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 -0.2989 1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 -0.3666 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -3.7153 0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1909 -2.2785 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -3.3885 1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8977 -3.2469 -0.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8041 -0.6871 0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9783 1.6852 -2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -1.5026 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 4.1561 -2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6038 -2.2628 -1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3326 3.7648 2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7233 -0.4362 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4907 5.2354 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8794 -1.7317 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1804 -3.3143 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3754 1.1468 0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5334 -2.8403 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1823 1.6869 -0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3509 3.3525 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 47 1 0 0 0 0 4 16 1 0 0 0 0 4 21 1 0 0 0 0 4 53 1 0 0 0 0 5 17 1 0 0 0 0 5 25 2 0 0 0 0 6 18 1 0 0 0 0 6 26 2 0 0 0 0 7 30 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 20 23 1 0 0 0 0 20 55 1 0 0 0 0 21 24 2 0 0 0 0 21 29 1 0 0 0 0 22 27 2 0 0 0 0 22 56 1 0 0 0 0 23 28 2 0 0 0 0 23 57 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 29 32 2 0 0 0 0 29 62 1 0 0 0 0 30 33 1 0 0 0 0 31 34 2 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 M END > DB18600 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QRCZXFIANKOFOR-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC2=NC=CC(NCCCN3CCC(CC3)NC(C3=CC=CC=N3)C3=CC=CC=N3)=C2C=C1 > InChI=1S/C28H31ClN6/c29-21-8-9-23-24(10-16-33-27(23)20-21)30-15-5-17-35-18-11-22(12-19-35)34-28(25-6-1-3-13-31-25)26-7-2-4-14-32-26/h1-4,6-10,13-14,16,20,22,28,34H,5,11-12,15,17-19H2,(H,30,33) > QRCZXFIANKOFOR-UHFFFAOYSA-N > C28H31ClN6 > 487.05 > 486.2298727 > 6 > 66 > 4.975240944399025 > 55.253988811088774 > 1 > 2 > 0 > 0 > N-[3-(4-{[bis(pyridin-2-yl)methyl]amino}piperidin-1-yl)propyl]-7-chloroquinolin-4-amine > 3.622965610333333 > 1 > 2 > 5 > 1 > 9.064756614592305 > 65.97 > 141.78130000000002 > 9 > 1 > N-[3-(4-{[bis(pyridin-2-yl)methyl]amino}piperidin-1-yl)propyl]-7-chloroquinolin-4-amine > 0 $$$$