9903970 -OEChem-09282114053D 36 39 0 1 0 0 0 0 0999 V2000 -5.2071 0.0772 1.0707 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 0.5690 -1.3676 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -2.3934 -0.5867 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.2558 -1.5103 0.5764 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0558 -0.8966 1.1146 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1720 -2.4763 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.9914 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3436 -0.5494 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5279 0.4607 0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -3.6274 -1.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1191 0.4496 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0762 1.0996 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6216 -0.6504 0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 1.1118 1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1396 1.3116 -1.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6266 2.3191 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6429 0.2209 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 2.3377 0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4028 1.1987 -0.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 2.9392 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 -2.1470 1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9642 -0.8189 2.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -2.2228 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 -3.4874 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 -2.8256 1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 -1.6445 0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 -4.4728 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 -3.5093 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9197 -3.8808 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 -1.4192 1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9055 0.6542 2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9542 2.0704 -1.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 2.7934 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 2.8156 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1918 1.8768 -0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0325 3.8883 -0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 19 2 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 M END > DB06216 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VSWBSWWIRNCQIJ-UHFFFAOYSA-N/SDF?record_type=3d > CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1 > InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3 > VSWBSWWIRNCQIJ-UHFFFAOYSA-N > C17H16ClNO > 285.77 > 285.0920418 > 1 > 36 > 0.6629908645118223 > 30.83476450331417 > 1 > 0 > 0 > 1 > 9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(14),7,9,11,15,17-hexaene > 4.35 > 3.7246065736666667 > -3.96 > 0 > 1 > 4 > 1 > 7.29386587049297 > 12.47 > 81.64990000000002 > 0 > 1 > 3.12e-02 g/l > 1,13-dimethyl-10-(3-methylbut-2-en-1-yl)-10-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-ol > 1 $$$$