4622 -OEChem-10051720443D 33 34 0 0 0 0 0 0 0999 V2000 -3.9124 -0.5380 0.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 1.1950 0.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5156 -0.9034 -0.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 1.0308 0.3915 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5533 -0.9588 -0.1536 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0839 0.8783 0.1436 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3588 0.1983 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1835 -1.0375 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -0.6894 0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7265 0.4137 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6746 -2.1348 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8445 0.2938 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4585 0.7435 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0515 -1.9420 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8939 0.5673 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5382 1.8949 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 0.2681 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 0.7204 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 1.3942 0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 2.0142 0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2846 -3.1120 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9001 1.2402 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 1.3662 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7244 -2.7849 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9172 -0.1022 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4786 0.0673 0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9934 2.3911 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5696 1.7389 -1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5571 2.5665 0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1087 1.8682 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8993 -0.0622 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3335 1.5593 -0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7422 0.3497 -1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END > DB04910 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RAOCRURYZCVHMG-UHFFFAOYSA-N/SDF?record_type=3d > CCCOC1=CC2=C(C=C1)N=C(NC(=O)OC)N2 > InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) > RAOCRURYZCVHMG-UHFFFAOYSA-N > C12H15N3O3 > 249.2658 > 249.111341361 > 4 > 33 > 0.0013365325859504757 > 26.976159801145588 > 1 > 2 > 0 > 1 > methyl N-(6-propoxy-1H-1,3-benzodiazol-2-yl)carbamate > 2.07 > 2.522414591333333 > -2.86 > 0 > 0 > 2 > 0 > 13.946391006014558 > 9.644972089169237 > 4.5574244372555786 > 76.24000000000001 > 66.6642 > 5 > 1 > 3.47e-01 g/l > tetrahydrofolic acid > 0 $$$$