11697676 -OEChem-10051722573D 62 66 0 0 0 0 0 0 0999 V2000 4.2424 -2.0521 -0.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9933 3.8156 0.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -1.0152 -1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3282 0.1382 -0.6114 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 1.8613 0.2380 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -0.1206 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -1.8009 -1.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 -0.0890 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1848 -0.8915 -1.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 0.8773 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -1.8970 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6559 -1.0789 -0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5749 0.7571 -0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -1.9823 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5886 0.2549 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8461 1.9291 -1.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 -1.1747 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8328 0.9204 0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3639 -0.9083 1.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0696 2.5837 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0575 2.0838 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8158 0.4032 1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 -1.4081 1.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5757 -0.7537 2.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8921 -0.2770 0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1768 0.4266 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -1.4715 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7253 0.4548 0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2351 1.7807 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 -1.6695 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -2.2834 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9656 2.5869 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 -2.4076 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8633 -2.4911 -2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0809 0.5558 0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 -0.6379 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 -0.4089 -2.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0898 -1.5084 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2665 1.4873 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8485 1.5571 -1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 -2.5092 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5122 -2.5853 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.4761 -1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6191 -0.3958 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7037 -2.6056 0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9895 -2.6801 -1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0954 2.3362 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 -0.5122 0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3151 -0.5672 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4214 -1.4484 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2569 3.4834 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0066 2.6117 -0.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7795 0.8984 1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1655 -2.3081 2.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3443 -1.1432 2.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2394 0.5569 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 -0.1760 0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3820 1.6518 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0825 2.3567 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6780 -2.2797 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4835 -3.3643 0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9066 2.3600 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 27 1 0 0 0 0 2 32 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 28 1 0 0 0 0 5 32 1 0 0 0 0 5 62 1 0 0 0 0 6 27 2 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 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 16 2 0 0 0 0 14 17 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 25 30 1 0 0 0 0 26 29 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 31 1 0 0 0 0 29 32 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 M END > DB12998 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QGNOXTFZOLDODX-UHFFFAOYSA-N/SDF?record_type=3d > O=C1CCC2=CC=C(OCCCCN3CCN(CC3)C3=CC=CC4=CC=CC=C34)N=C2N1 > InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31) > QGNOXTFZOLDODX-UHFFFAOYSA-N > C26H30N4O2 > 430.552 > 430.236876222 > 5 > 62 > 49.827332618661956 > 1 > 1 > 0 > 1 > 7-{4-[4-(naphthalen-1-yl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydro-1,8-naphthyridin-2-one > 4.71 > 4.653873696333333 > -4.11 > 1 > 5 > 1 > 11.89152948639125 > 8.42588884491497 > 57.7 > 129.6471 > 7 > 1 > 3.36e-02 g/l > 7-{4-[4-(naphthalen-1-yl)piperazin-1-yl]butoxy}-3,4-dihydro-1H-1,8-naphthyridin-2-one > 0 $$$$