62528 -OEChem-10051719373D 50 52 0 0 0 0 0 0 0999 V2000 -7.2489 0.3600 0.3556 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5007 5.1900 0.3234 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3714 5.6380 0.6135 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 -0.3876 -0.5327 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 -3.6699 0.0597 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8644 1.0529 -0.0926 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 4.8317 0.3664 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4260 -1.6376 -0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 -2.4069 0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 -0.1985 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 0.8223 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 1.7050 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -1.3035 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -3.4373 -0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8214 -4.4169 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7283 1.2085 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 3.0571 0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 -0.8823 -0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2344 -4.7601 -1.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -4.6562 2.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 3.4676 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0033 2.5580 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7344 -0.4619 -1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5173 -0.9334 0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0597 -0.0751 -1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8427 -0.5467 1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -0.1176 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2841 -1.3530 -1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7643 -2.2290 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4707 -1.7929 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8892 -2.5686 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4679 -1.7548 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 -2.1056 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3739 -2.8122 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -2.9567 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -3.9026 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 -5.4103 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5262 0.5056 -0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 3.7419 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9506 -4.5908 -2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -5.4604 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -5.2391 -0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8344 -5.4174 2.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7496 -5.0287 1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 -3.7626 2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0462 2.8665 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3095 -0.4240 -2.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9223 -1.2643 1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6485 0.2578 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2609 -0.5843 2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 22 2 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 17 39 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 M CHG 2 2 -1 7 1 M END > DB01523 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GPZLDQAEBHTMPG-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CCN1C(CC2=CC=C(Cl)C=C2)=NC2=C1C=CC(=C2)[N+]([O-])=O > InChI=1S/C20H23ClN4O2/c1-3-23(4-2)11-12-24-19-10-9-17(25(26)27)14-18(19)22-20(24)13-15-5-7-16(21)8-6-15/h5-10,14H,3-4,11-13H2,1-2H3 > GPZLDQAEBHTMPG-UHFFFAOYSA-N > C20H23ClN4O2 > 386.875 > 386.150953707 > 4 > 50 > 0.9978096180456965 > 41.90425222572345 > 1 > 0 > 0 > 1 > (2-{2-[(4-chlorophenyl)methyl]-5-nitro-1H-1,3-benzodiazol-1-yl}ethyl)diethylamine > 4.95 > 4.716873912333333 > -4.54 > 1 > 1 > 3 > 1 > 9.598979382944984 > 64.2 > 107.66940000000001 > 8 > 1 > 1.11e-02 g/l > biotin > 0 $$$$