216326 -OEChem-02112116343D 32 34 0 1 0 0 0 0 0999 V2000 0.6239 -2.6516 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 0.0900 2.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4426 0.7575 -0.1785 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1089 -0.4086 -0.1298 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4566 0.4350 0.9461 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 2.7963 -0.1907 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -0.6097 -0.1652 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1363 -0.0156 -1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5173 0.9073 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 0.5622 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8095 -1.4497 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -0.2216 -1.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1352 -0.8213 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 0.0196 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2697 0.3848 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0651 1.4000 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 -1.4186 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3365 0.8205 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4915 -0.5763 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 -1.6845 -0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7019 -0.4841 -2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 1.0601 -1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 1.5031 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 1.4036 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8885 -1.2886 -1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0838 0.2481 -2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8815 0.8316 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 -2.4945 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2261 1.4464 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4902 -1.0019 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7405 3.3896 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0014 3.2129 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 27 1 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > DB00480 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GOTYRUGSSMKFNF-UHFFFAOYSA-N/SDF?record_type=3d > NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O > InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18) > GOTYRUGSSMKFNF-UHFFFAOYSA-N > C13H13N3O3 > 259.2606 > 259.095691297 > 4 > 32 > -3.932352300683183e-06 > 25.50773963654864 > 1 > 2 > 0 > 0 > 3-(4-amino-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione > -0.707852159 > 0 > 0 > 3 > 0 > 14.142252329187809 > 11.611915577956777 > 2.313453764425511 > 92.5 > 68.29810000000002 > 1 > 1 > N-demethyldiltiazem > 0 $$$$