5287786 -OEChem-01032017243D 32 33 0 1 0 0 0 0 0999 V2000 -2.7285 -0.6828 -1.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4663 0.7856 1.6628 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 2.6036 -0.4005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5574 0.3878 -0.0839 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 -2.1142 0.2765 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -1.0780 0.2179 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0059 1.2912 -0.1492 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -0.0527 0.1231 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 -0.7490 0.3453 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7788 -0.6017 -0.1961 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7194 -2.0533 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4468 0.7103 0.2388 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8214 0.2691 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4502 -0.9671 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8768 0.8310 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6609 1.3593 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 0.0608 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -0.7643 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3779 -1.4488 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -2.9172 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -2.1358 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9164 1.5872 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9528 1.3129 0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1328 -3.0076 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 0.0061 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9155 0.8347 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3364 1.7553 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1966 0.0660 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 1.0091 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 2.5236 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3255 -0.9590 0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 0.7737 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 28 1 0 0 0 0 2 12 1 0 0 0 0 2 29 1 0 0 0 0 3 16 1 0 0 0 0 3 30 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 24 1 0 0 0 0 6 14 1 0 0 0 0 6 17 2 0 0 0 0 7 16 2 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M END > DB03918 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FNKQXYHWGSIFBK-ZMIZWQJLSA-N/SDF?record_type=3d > [H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@H](O)[C@@H](C)O > InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4-,6-/m1/s1 > FNKQXYHWGSIFBK-ZMIZWQJLSA-N > C9H15N5O3 > 241.2471 > 241.117489371 > 8 > 32 > 0.0248067313851491 > 23.52083309191429 > 1 > 6 > 0 > 0 > (6R)-2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-1,4,5,6,7,8-hexahydropteridin-4-one > -2.6621297606666667 > 0 > 0 > 2 > 0 > 15.010511203269347 > 13.51676238081279 > 5.405484488413579 > 132.0 > 68.4334 > 2 > 0 > (2S)-2-({4-[(2E)-N-({2-amino-4-oxo-1H-pyrido[3,2-d]pyrimidin-6-yl}methyl)-3-{5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}prop-2-enamido]phenyl}formamido)pentanedioic acid > 0 $$$$