6921791 -OEChem-10061700313D 39 41 0 0 0 0 0 0 0999 V2000 2.8269 -2.3493 -0.1854 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 -1.3145 0.0080 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3858 0.9510 0.2873 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8271 0.2267 0.1691 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0699 -0.2966 -0.1016 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 0.5552 0.0616 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 1.4122 0.2291 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 -1.8043 -0.2358 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2929 -1.1160 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8421 1.3246 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 -1.3960 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5893 1.0421 -0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7121 -0.5270 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4179 0.3418 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9209 -0.9558 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0123 -1.9902 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 2.7431 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 1.1623 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -1.2172 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 -0.0394 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 3.3916 -0.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7722 -0.1443 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1168 0.2235 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6818 0.4154 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0778 -1.8466 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0994 -1.0982 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6386 1.3551 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3226 2.2580 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6277 -2.3515 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2666 -1.5185 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8073 1.1013 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 1.8397 -0.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 -3.0220 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 2.7329 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 3.3694 0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2685 2.0741 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5545 3.4647 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0898 2.8212 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1927 4.4032 -0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 22 1 0 0 0 0 3 22 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 13 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 13 2 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 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 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M CHG 2 2 -1 4 1 M END > DB13823 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JOHZPMXAZQZXHR-UHFFFAOYSA-N/SDF?record_type=3d > CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1 > InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22) > JOHZPMXAZQZXHR-UHFFFAOYSA-N > C14H17N5O3 > 303.3165 > 303.133139435 > 8 > 39 > 0.0037581042042872633 > 30.9383118012064 > 1 > 2 > 0 > 0 > 8-ethyl-5-oxo-2-(piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid > -1.52 > -1.7975242971623604 > -2.61 > 0 > 0 > 3 > 0 > 5.11475817190983 > 8.657367184023503 > 98.66000000000001 > 82.18419999999998 > 3 > 1 > 7.46e-01 g/l > tetrahydrofolic acid > 0 $$$$