44472635 -OEChem-02112115163D 61 65 0 1 0 0 0 0 0999 V2000 -7.2418 -1.6562 0.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0712 0.0567 1.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 2.1501 -1.9193 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -1.8588 0.1776 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 0.7886 -0.3429 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 -1.3643 -0.7434 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8070 1.6728 1.2019 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 -0.6288 -0.1631 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9752 -1.5637 -0.1667 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1438 0.5158 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 -0.1420 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4225 -0.5289 0.5895 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0108 -2.5562 0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5876 -2.2433 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1782 0.7370 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6449 -0.4977 -0.6703 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6143 -1.4922 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2268 -0.7405 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 0.6879 0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 -2.7901 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1456 -1.4049 0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9678 1.8948 1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0862 0.7468 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 -0.5567 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0758 -1.6602 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 -2.4987 -1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 -1.1133 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9496 1.9835 -0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6653 3.0623 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7835 1.9143 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5731 3.0721 -0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7102 3.1224 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5538 2.8914 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2928 -0.6432 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -1.5768 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3807 1.0474 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 1.2447 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 0.3983 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5197 -0.1236 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7190 -2.6487 -0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2552 -0.5618 1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2461 -3.5725 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 -2.5881 1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5668 -0.6025 -1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4084 -1.7295 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1474 -2.4329 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2598 -1.0378 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6334 -0.8663 2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7515 -2.4539 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -3.4431 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3028 -0.9793 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2847 1.9022 1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2589 -0.1376 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -2.9309 -2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9807 -0.4585 1.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 -1.8091 -1.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5058 3.9623 1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4884 1.9231 -1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5634 4.1119 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1167 3.9809 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1086 3.7232 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 49 1 0 0 0 0 2 24 2 0 0 0 0 3 28 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 40 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 56 1 0 0 0 0 7 19 2 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 26 1 0 0 0 0 20 50 1 0 0 0 0 21 27 2 0 0 0 0 21 51 1 0 0 0 0 22 29 1 0 0 0 0 22 52 1 0 0 0 0 23 30 2 0 0 0 0 23 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 28 32 1 0 0 0 0 29 31 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 59 1 0 0 0 0 33 61 1 0 0 0 0 M END > DB14895 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DJXRIQMCROIRCZ-XOEOCAAJSA-N/SDF?record_type=3d > [H][C@@]1(CC[C@@H](CC2=CC=C(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)C=C2)N1)[C@H](O)C1=CC=CC=C1 > InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1 > DJXRIQMCROIRCZ-XOEOCAAJSA-N > C26H28N4O3 > 444.535 > 444.216140778 > 5 > 61 > 1.0014149310881337 > 47.171443007896166 > 1 > 3 > 0 > 1 > (6S)-N-(4-{[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl}phenyl)-4-oxo-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidine-6-carboxamide > 2.3802031135926 > 1 > 1 > 5 > 1 > 13.90023860433969 > 12.464476432274694 > 10.606521938045011 > 94.03 > 126.70839999999998 > 6 > 1 > disodium dexamethasone phosphate(2-) > 0 $$$$