54766 -OEChem-10051719353D 55 55 0 1 0 0 0 0 0999 V2000 2.4307 1.0571 2.5096 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -2.6944 0.8853 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 1.5339 0.7414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5457 -2.5992 -1.4142 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7165 1.5522 -1.5554 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 1.6991 0.2737 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -4.6774 -0.3876 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 2.6330 -0.6375 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0463 1.3257 -0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 1.0177 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 1.4072 1.2395 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4374 1.7242 -2.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 -0.1895 -0.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 2.0595 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5504 0.7056 1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6231 1.4521 0.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -0.6878 1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7319 -1.3346 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 0.8054 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9054 -0.5880 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -3.2793 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 1.8854 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6408 -5.4225 -1.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 -5.4751 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0809 3.0694 -1.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 3.0201 0.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 2.7082 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9942 -0.0639 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3569 1.2590 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 2.4942 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 1.0783 -2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0848 2.7625 -2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 1.6502 -2.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -0.7716 -1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5016 -0.5334 0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1243 -0.4653 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2385 3.1472 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 1.7991 0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1006 1.8018 -1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5896 2.5385 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 -1.2855 1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 1.4821 2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8626 -1.0922 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2274 -6.0856 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -4.7581 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5498 -6.0178 -1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8041 -6.0716 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9585 -4.8563 1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0278 -6.1400 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0815 2.6489 -2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4433 2.7433 -2.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1383 4.1617 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4023 4.1117 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8952 2.6628 1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3458 2.5999 0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 42 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 4 21 2 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 27 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 20 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 M END > DB01408 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ANZXOIAKUNOVQU-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C > InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3 > ANZXOIAKUNOVQU-UHFFFAOYSA-N > C18H29N3O5 > 367.44 > 367.210721053 > 4 > 55 > 0.9970072088487023 > 40.76978432223504 > 1 > 2 > 0 > 1 > 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate > 1.69 > 1.3973544953333334 > -2.89 > 0 > 1 > 1 > 1 > 13.909501783442677 > 9.522639831000232 > 91.33999999999999 > 98.2791 > 8 > 1 > 4.69e-01 g/l > tetrahydrofolic acid > 0 $$$$