25155578 -OEChem-10051721263D 61 65 0 1 0 0 0 0 0999 V2000 1.2089 -0.4290 -0.9037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -1.6697 2.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 1.0833 2.0346 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3627 -2.5964 0.3632 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 -0.8706 -0.3947 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -0.1522 1.2771 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 1.6236 -0.9164 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 -2.6130 -0.1338 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6923 -3.5325 -1.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 -3.3742 -1.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5527 -3.2116 -0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -1.2052 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9205 0.4541 -0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4985 -1.7391 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 0.4836 -0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 -0.9704 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0416 -2.1860 1.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -2.3984 2.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0373 -1.0727 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9854 -0.3508 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 0.8856 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9613 0.5372 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2399 1.8260 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9114 -1.4065 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8559 0.3584 -1.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 3.0138 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7977 -1.5747 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7697 -0.6928 -1.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 3.9801 0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5155 3.1660 -1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4288 5.0986 0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 4.2845 -1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3025 5.2508 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 -2.9955 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -4.5712 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4376 -3.2896 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1885 -2.4709 -2.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0647 -4.2238 -2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4312 -2.5876 -0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 -4.1857 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2716 1.2324 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 0.5415 -1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4603 -2.7146 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3864 -1.8730 1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2994 0.7819 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 1.1735 -0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -1.1848 -1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 -1.2193 0.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3696 -3.0285 2.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9764 -2.9625 1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -1.2090 2.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4844 -0.6075 3.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9937 -2.1137 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8452 1.0460 -2.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5119 -2.3929 -0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4587 -0.8203 -2.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0814 3.8770 1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5621 2.4187 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3943 5.8516 1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 4.4022 -2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 6.1216 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 2 0 0 0 0 3 21 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 23 1 0 0 0 0 22 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 28 1 0 0 0 0 25 54 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 M END > DB08738 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KWCKZIJGKMCYCI-QFIPXVFZSA-N/SDF?record_type=3d > [H][C@]1(CCCN1C(=O)CCN1C(=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C(=O)N1CCCC1 > InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1 > KWCKZIJGKMCYCI-QFIPXVFZSA-N > C26H28N4O3 > 444.5255 > 444.216140782 > 4 > 61 > 3.727273616159324e-09 > 47.214890521374436 > 1 > 0 > 0 > 1 > 1-{3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl}-3-phenyl-1,2-dihydroquinoxalin-2-one > 2.31 > 2.247151140666667 > -3.83 > 0 > 0 > 5 > 0 > -1.5106319726715554 > 73.29 > 127.2636 > 5 > 1 > 6.60e-02 g/l > biotin > 0 $$$$