9547939 -OEChem-10051720533D 34 36 0 0 0 0 0 0 0999 V2000 0.2869 1.3011 0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 0.1049 0.1251 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0635 -1.9479 -0.3849 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1783 -0.3448 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0194 0.1804 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 1.0099 0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1407 -0.8552 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 0.1978 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4666 -0.9071 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 1.8336 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -0.0952 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1817 -0.9501 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 1.2538 0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1351 1.3636 -0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5761 -0.9323 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5293 1.3816 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 0.2336 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -0.6685 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3469 -2.1593 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4033 -1.8741 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 2.2130 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -1.9605 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 2.8839 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6714 -1.8643 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 1.9118 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 2.2714 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 2.2885 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 0.2612 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8222 -3.0614 0.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 -2.1647 0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4902 -2.2141 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9783 -0.3143 0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0378 1.0904 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0668 -2.1614 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 18 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 18 2 0 0 0 0 3 34 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 11 2 0 0 0 0 9 22 1 0 0 0 0 10 13 2 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB06923 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KJUSXMYSVXZFDJ-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=CC(=C1)C1=CC2=C(N1)C=CC(=C2)C(N)=N > InChI=1S/C16H15N3/c1-10-3-2-4-11(7-10)15-9-13-8-12(16(17)18)5-6-14(13)19-15/h2-9,19H,1H3,(H3,17,18) > KJUSXMYSVXZFDJ-UHFFFAOYSA-N > C16H15N3 > 249.3104 > 249.126597495 > 2 > 34 > 0.9999388518942264 > 29.141334867540287 > 1 > 3 > 0 > 1 > 2-(3-methylphenyl)-1H-indole-5-carboximidamide > 2.84 > 3.073124158333333 > -4.63 > 0 > 1 > 3 > 1 > 14.948549288466054 > 11.213670341610436 > 65.66 > 88.8719 > 2 > 1 > 5.86e-03 g/l > tetrahydrofolic acid > 0 $$$$