448062 -OEChem-10191719373D 68 73 0 0 0 0 0 0 0999 V2000 0.8039 -3.4796 -0.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6685 -1.9802 -0.0799 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0387 -0.5109 -0.8811 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6424 -1.8651 -1.3443 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 4.8733 1.3188 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 2.7297 0.3914 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 -2.5534 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6051 -2.2520 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -3.1527 0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 -1.3716 -1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0146 -2.2598 1.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 -1.5561 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0791 -2.2350 0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4661 -3.0669 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 -0.4914 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3406 -1.5620 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9932 -2.1809 -0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 -1.9468 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5791 0.4398 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5361 -3.3625 1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 -3.7657 0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 1.6283 -1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3564 0.3868 -0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5277 -1.7665 1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7587 -2.8167 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5215 0.1633 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6081 -0.8966 1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5498 1.6004 -0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6794 2.7331 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 2.7010 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 3.8353 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 3.8352 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4642 2.7009 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0525 4.9359 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 3.8032 0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 4.9185 0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 3.7877 0.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6089 0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 -3.1952 -1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9377 -1.7671 -2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2617 -3.3054 1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -4.1498 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -0.3778 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -1.2273 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 -2.7420 1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6958 -1.3080 1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3959 -1.4284 -1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4313 0.7478 -2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 -0.0691 -2.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1194 -3.9178 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -4.6345 1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3187 1.2015 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6108 -2.5891 2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 -2.9675 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7418 -2.1686 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3416 -3.8001 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3742 0.8239 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5245 -1.0522 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 0.7387 -1.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7434 2.7770 -1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6351 -2.1055 -1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6769 4.6980 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 1.8230 -0.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6254 5.8179 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 5.8009 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1488 4.8440 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 5.7215 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 2.9083 0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 17 2 0 0 0 0 4 61 1 0 0 0 0 5 37 1 0 0 0 0 5 66 1 0 0 0 0 5 67 1 0 0 0 0 6 37 2 0 0 0 0 6 68 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 38 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 23 2 0 0 0 0 16 24 2 0 0 0 0 17 25 1 0 0 0 0 18 47 1 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 32 2 0 0 0 0 29 60 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 32 62 1 0 0 0 0 33 35 2 0 0 0 0 33 63 1 0 0 0 0 34 36 2 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 65 1 0 0 0 0 M END > DB02112 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DZLGSWPXZYDHBD-UHFFFAOYSA-N/SDF?record_type=3d > CC(=N)N1CCC(CC1)OC1=CC=C2C(=C1)N(CC1=CC=C3C=CC(=CC3=C1)C(N)=N)C1=C2C=CC=C1 > InChI=1S/C31H31N5O/c1-20(32)35-14-12-25(13-15-35)37-26-10-11-28-27-4-2-3-5-29(27)36(30(28)18-26)19-21-6-7-22-8-9-23(31(33)34)17-24(22)16-21/h2-11,16-18,25,32H,12-15,19H2,1H3,(H3,33,34) > DZLGSWPXZYDHBD-UHFFFAOYSA-N > C31H31N5O > 489.6107 > 489.252860639 > 5 > 68 > 1.9999432014274992 > 56.47989123967489 > 1 > 3 > 0 > 0 > 7-({2-[(1-ethanimidoylpiperidin-4-yl)oxy]-9H-carbazol-9-yl}methyl)naphthalene-2-carboximidamide > 5.12 > 4.207070815666666 > -4.61 > 0 > 2 > 6 > 2 > 12.450704445711992 > 91.12 > 170.15969999999996 > 5 > 1 > 1.21e-02 g/l > biotin > 0 $$$$