92105 -OEChem-02282013453D 23 23 0 1 0 0 0 0 0999 V2000 -1.2887 -1.4565 -1.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 -1.2448 0.4964 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.0271 -0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8734 -0.6098 1.0729 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0366 1.4379 -0.1754 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7252 1.2154 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7697 0.7433 -0.4131 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6171 0.5455 0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6367 0.9789 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0964 -0.9062 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 -0.7391 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 0.0084 -0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 1.0087 1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5929 2.3028 0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4463 0.9552 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7763 1.8372 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6606 -1.7744 1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 1.2377 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7465 1.0979 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8402 -0.5546 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2259 1.0355 -0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 -0.4706 -0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 -2.4193 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 23 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > DB04151 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BRMWTNUJHUMWMS-LURJTMIESA-N/SDF?record_type=3d > CN1C=NC(C[C@H](N)C(O)=O)=C1 > InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 > BRMWTNUJHUMWMS-LURJTMIESA-N > C7H11N3O2 > 169.1811 > 169.085126611 > 4 > 23 > 0.04713143784789575 > 17.11092825688521 > 1 > 2 > 0 > 0 > (2S)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid > -2.95 > -3.0702116519300398 > -1.39 > 0 > 0 > 1 > 0 > 1.9197580829962322 > 9.248009240493696 > 81.14000000000001 > 42.39000000000001 > 3 > 1 > 6.93e+00 g/l > 4'-phosphopantetheine > 0 $$$$