153241 -OEChem-10051720433D 57 60 0 1 0 0 0 0 0999 V2000 -5.3904 3.9569 -1.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2266 2.1262 0.4458 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2896 1.3199 1.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8787 1.2933 1.4405 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1004 0.5772 -0.9924 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 -1.0070 0.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 0.0244 1.2545 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 -2.7892 -0.6955 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3824 -2.1327 -0.7914 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0795 1.6606 0.7346 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5813 3.3669 0.1801 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4719 3.1675 -0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5376 4.2692 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2322 3.1277 -2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4635 1.1672 1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6953 -1.1728 1.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 -2.1141 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7433 -2.0105 0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1837 -2.8858 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8906 -3.0807 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 -3.8586 -0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -3.9560 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6051 -1.4555 -0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9987 -0.1302 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 0.2613 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6454 -0.4061 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7357 -1.8567 -1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 -1.1892 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 -1.8815 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2571 0.5480 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 1.2005 1.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 2.5964 0.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1742 1.2635 -0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2575 3.8145 1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 4.0487 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8418 2.2829 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5842 4.1270 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2686 5.3233 -0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5767 2.1137 -2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6365 3.4927 -2.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5276 -1.6525 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9554 -0.8964 2.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1720 0.0207 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1836 -1.2392 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9462 -3.1645 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -4.5472 -1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9492 -4.7130 -1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -3.4614 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 -0.0499 0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 -2.6814 -1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8209 -1.5220 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4202 -2.8930 -1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4716 1.3653 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7752 3.3201 1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2736 2.8416 0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5654 2.6666 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9936 1.4147 -1.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 15 2 0 0 0 0 4 25 1 0 0 0 0 4 32 1 0 0 0 0 5 30 1 0 0 0 0 5 33 1 0 0 0 0 6 29 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 43 1 0 0 0 0 8 19 1 0 0 0 0 8 29 1 0 0 0 0 8 48 1 0 0 0 0 9 23 1 0 0 0 0 9 29 1 0 0 0 0 9 52 1 0 0 0 0 10 31 1 0 0 0 0 10 33 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 30 31 2 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M END > DB04862 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JBPUGFODGPKTDW-SFHVURJKSA-N/SDF?record_type=3d > COC1=C(C=CC(NC(=O)NC2=CC=CC(CNC(=O)O[C@H]3CCOC3)=C2)=C1)C1=CN=CO1 > InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1 > JBPUGFODGPKTDW-SFHVURJKSA-N > C23H24N4O6 > 452.4599 > 452.16958452 > 5 > 57 > -6.0201207125975735e-05 > 45.45995905748636 > 1 > 3 > 0 > 1 > (3S)-oxolan-3-yl N-{[3-({[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoyl}amino)phenyl]methyl}carbamate > 1.74 > 1.9352342980000001 > -3.61 > 1 > 0 > 4 > 0 > 13.765243148329619 > 11.218904719838061 > 0.5739994423221101 > 123.95 > 121.39000000000001 > 8 > 1 > 1.10e-01 g/l > biotin > 0 $$$$