25101874 -OEChem-10051722413D 61 66 0 1 0 0 0 0 0999 V2000 -5.1632 -3.2190 -0.1736 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8245 3.6766 -0.6583 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9583 1.4401 0.0786 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 -0.6163 0.2827 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0092 -0.8910 -0.2743 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9475 1.3687 -0.4481 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9434 -0.4193 -0.0073 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7501 -0.8258 0.3174 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 1.0028 1.3901 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5961 -0.5969 -0.5847 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6701 -1.0309 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6161 -0.9379 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 -1.5594 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5444 -0.4912 1.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7898 -1.1112 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8858 -0.0072 1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5808 0.9429 -0.7837 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7081 0.2685 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0071 0.3043 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6384 -2.0973 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4592 2.6520 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8770 -0.6749 1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6362 1.6054 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1159 -1.9589 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9268 2.7251 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2527 -0.1451 0.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.8407 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3368 -0.3270 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2565 -1.0429 -1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 0.8452 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3844 -0.1185 -1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8468 1.4715 1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9406 0.6087 -0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 -1.1181 -1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 -2.1118 0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0349 -0.5586 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7075 -1.9333 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1857 -1.6227 -1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -2.5703 -0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5225 -1.4481 2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0346 0.2406 2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2588 -1.8531 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 -0.1668 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 1.0141 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 0.0470 2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8766 1.4897 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 1.2130 -1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 -0.8794 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9571 -1.7502 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -0.2005 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6925 1.6651 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6486 -2.9090 0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3852 3.7065 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7314 -1.7595 -0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6716 -1.9200 -0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 -1.3919 -2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1687 -0.6911 -2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9920 0.6171 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1074 2.3935 1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3402 -0.0941 0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7651 1.2602 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 19 1 0 0 0 0 8 24 2 0 0 0 0 9 26 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END > DB12134 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PZFAZQUREQIODZ-LJQANCHMSA-N/SDF?record_type=3d > O=C1C=CC2=C3N1C[C@@H](CN1CCC(CC1)NCC1=CC4=C(OCCC4)C=N1)N3C(=O)C=N2 > InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1 > PZFAZQUREQIODZ-LJQANCHMSA-N > C24H28N6O3 > 448.527 > 448.222288786 > 7 > 61 > 49.2500104114053 > 1 > 1 > 0 > 0 > (3R)-3-({4-[({2H,3H,4H-pyrano[2,3-c]pyridin-6-yl}methyl)amino]piperidin-1-yl}methyl)-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione > 0.97 > 0.1628372606666659 > -3.16 > 0 > 6 > 1 > 8.62280409638048 > 90.37 > 133.84359999999998 > 5 > 1 > 3.11e-01 g/l > (3R)-3-{[4-({2H,3H,4H-pyrano[2,3-c]pyridin-6-ylmethyl}amino)piperidin-1-yl]methyl}-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione > 0 $$$$