447731 -OEChem-10051719573D 52 55 0 1 0 0 0 0 0999 V2000 -0.0684 -2.4357 0.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 -0.3062 0.4697 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -0.2952 0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7395 0.2906 -0.5772 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8039 2.1165 0.5414 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 1.3865 0.1121 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7066 0.2472 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1362 0.9168 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1568 -1.0888 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3445 2.5720 -0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6304 -1.4097 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3249 0.4917 0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -2.1405 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3649 3.6845 -0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4097 -0.5626 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8607 -1.8774 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 -1.2130 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 -0.6177 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -0.7617 -0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 0.4947 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 -1.3107 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5327 0.6047 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8082 1.1649 0.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.0436 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -1.4321 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2997 0.3637 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 -0.8718 -0.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6303 0.9456 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7302 1.7303 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8721 1.6735 0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2433 0.7587 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2537 2.2563 -1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3725 2.9865 -0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9036 -1.6902 -1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8307 -2.2728 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4536 -0.5432 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9514 1.5105 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 -3.1718 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 3.4366 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5728 3.9380 0.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9816 4.5874 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2172 -2.7453 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8172 0.6959 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 -2.2731 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 1.1484 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9302 2.1275 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3405 2.0104 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -2.3990 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9275 -1.4421 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6604 0.7123 -0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 -0.6075 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8009 2.3547 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 36 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 3 43 1 0 0 0 0 4 28 1 0 0 0 0 4 50 1 0 0 0 0 4 51 1 0 0 0 0 5 28 2 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 29 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 2 0 0 0 0 12 37 1 0 0 0 0 13 16 2 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 49 1 0 0 0 0 M END > DB02551 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LVNMYQLXKMSQTG-AWEZNQCLSA-N/SDF?record_type=3d > [H][C@]1(CC)CNCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2 > InChI=1S/C23H24N4O/c1-2-14-12-26-13-19-7-8-20(11-21(14)19)27-23(28)18-6-4-15-9-17(22(24)25)5-3-16(15)10-18/h3-11,14,26H,2,12-13H2,1H3,(H3,24,25)(H,27,28)/t14-/m0/s1 > LVNMYQLXKMSQTG-AWEZNQCLSA-N > C23H24N4O > 372.4629 > 372.19501141 > 4 > 52 > 1.9921141275627474 > 42.72160765814439 > 1 > 4 > 0 > 1 > 6-carbamimidoyl-N-[(4R)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]naphthalene-2-carboxamide > 2.53 > 3.3828546800000003 > -4.84 > 0 > 2 > 4 > 2 > 15.541864170286189 > 11.29175187750453 > 91.0 > 125.34440000000001 > 4 > 1 > 5.38e-03 g/l > biotin > 0 $$$$