68876 -OEChem-10061700203D 53 54 0 0 0 0 0 0 0999 V2000 2.3454 2.3474 -0.8543 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4919 1.7738 -0.4979 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 2.4331 -1.1767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 0.4895 0.8877 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6541 -1.2395 -0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2105 1.0158 -0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9901 -0.2369 -0.6325 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5317 -0.2607 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 0.6772 0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 0.6670 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 -0.1681 1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5281 -0.6721 -1.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5059 -1.0833 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2491 -0.0311 1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3139 0.9361 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8739 1.6915 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2787 -1.2676 2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1395 -2.1100 -2.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0219 -1.0170 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6335 -0.8156 1.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 1.1324 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 0.3405 0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 -0.6326 1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 -0.6413 0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9141 -0.1587 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8848 -0.9375 -1.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5813 -2.2325 -1.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1588 0.0915 -1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 -1.2727 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3701 1.6953 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3559 0.4210 1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1375 -0.0217 -2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6142 -0.5446 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1461 -0.7047 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1681 -2.1246 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3615 -1.3856 1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8502 -2.2366 1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0599 -1.0727 3.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4891 -2.3607 -3.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6127 -2.8354 -1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0595 -2.2810 -2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5069 -1.5795 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3633 -1.4598 1.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3839 0.0168 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2699 -1.5843 2.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6687 -1.2556 2.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0928 -1.2477 -0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9387 -1.2323 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5237 -0.3460 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6767 -0.3637 -2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7799 -2.8259 -0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9468 -2.8434 -2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5282 -2.0382 -2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 16 2 0 0 0 0 4 22 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 25 2 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 19 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END > DB13367 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GYNNRVJJLAVVTQ-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)COC1=CC=C2C(C)=C(CCN(CC)CC)C(=O)OC2=C1Cl > InChI=1S/C20H26ClNO5/c1-5-22(6-2)11-10-15-13(4)14-8-9-16(26-12-17(23)25-7-3)18(21)19(14)27-20(15)24/h8-9H,5-7,10-12H2,1-4H3 > GYNNRVJJLAVVTQ-UHFFFAOYSA-N > C20H26ClNO5 > 395.88 > 395.1499506 > 4 > 53 > 43.00159854764753 > 1 > 0 > 0 > 1 > ethyl 2-({8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-chromen-7-yl}oxy)acetate > 3.97 > 3.3356159313333342 > -3.80 > 0 > 2 > 1 > 9.102514239606329 > 65.07 > 104.81169999999999 > 10 > 1 > 6.24e-02 g/l > ethyl ({8-chloro-3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl}oxy)acetate > 0 $$$$