3219 -OEChem-10051719293D 48 50 0 1 0 0 0 0 0999 V2000 0.7175 -3.2764 -0.4311 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 1.2807 -0.0067 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 1.2558 0.5281 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.1387 -0.0767 -0.3741 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 1.9358 0.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 1.8580 -1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6254 0.9003 1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5871 2.7557 -0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 0.2576 0.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 1.9854 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 1.1011 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 0.0048 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 -1.2133 -0.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7029 1.2700 0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3297 0.6155 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 -2.2072 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 -0.8921 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0124 1.6814 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8288 -0.4662 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0668 0.7973 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 -4.2292 0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8924 -5.3384 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6326 2.4709 -1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 1.0612 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 0.1985 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8003 1.7833 1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 3.4194 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3968 3.4083 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 -0.3921 1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 -0.3969 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0446 1.3102 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7069 2.7256 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 -1.7023 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.8629 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 -0.1439 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 0.1388 1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1287 1.3590 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6143 -1.7302 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -2.6071 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 -1.8749 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2078 2.6611 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6667 -1.1321 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0859 1.1000 0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 -3.7464 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2469 -4.6459 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -6.0912 0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2692 -5.8246 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 -4.9369 -0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 11 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 M END > DB01084 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KBUZBQVCBVDWKX-UHFFFAOYSA-N/SDF?record_type=3d > CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1 > InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3 > KBUZBQVCBVDWKX-UHFFFAOYSA-N > C17H26N4O > 302.4145 > 302.210661474 > 4 > 48 > 1.0016822735066893 > 35.4897848588048 > 1 > 0 > 0 > 1 > 1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1H-1,3-benzodiazole > 2.91 > 2.4923856926666663 > -2.32 > 0 > 1 > 3 > 1 > 8.658977227093859 > 33.53 > 90.47470000000001 > 5 > 1 > 1.44e+00 g/l > biotin > 1 $$$$