29435 -OEChem-04081918203D 24 24 0 1 0 0 0 0 0999 V2000 -1.1324 -1.8118 -0.3673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -1.9701 0.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 0.3630 -0.3626 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -0.2832 -0.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 1.7534 0.2796 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4372 -0.7237 0.2432 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0583 0.6128 -0.2034 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0322 -0.8254 -0.1762 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8145 0.4196 0.2402 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1051 1.6927 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 0.7727 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5207 -0.8545 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1004 0.6302 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -0.9943 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9643 0.4234 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6564 2.5682 0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 1.7755 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2576 1.7467 1.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9322 1.7235 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5364 0.7237 1.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 -1.8476 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0771 -2.7436 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5924 1.1588 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 -0.1967 -1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 M END > DB03206 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LXBIFEVIBLOUGU-JGWLITMVSA-N/SDF?record_type=3d > OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 > LXBIFEVIBLOUGU-JGWLITMVSA-N > C6H13NO4 > 163.1717 > 163.084457909 > 5 > 24 > 15.84762656863139 > 1 > 5 > 0 > 0 > (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol > -2.22 > -2.885743183 > 0.50 > 0 > 1 > 1 > 14.040882857401085 > 12.906053630987143 > 8.062727249499266 > 92.95 > 36.5744 > 1 > 1 > 5.11e+02 g/l > 6-acetyl-2-({5-[(2-aminoethyl)amino]pyridin-2-yl}amino)-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one > 0 $$$$