449013 -OEChem-02092017543D 45 47 0 1 0 0 0 0 0999 V2000 -2.7783 -3.6148 -0.5064 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0199 2.8814 -0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3465 -0.8315 0.3273 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0979 -0.0448 1.3882 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4667 2.3893 0.9682 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2567 -1.7502 -0.0389 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0187 -1.0200 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7132 -2.8384 -1.0465 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6053 0.0048 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8632 0.6756 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -2.2809 -2.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1338 0.1473 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 0.3571 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -1.0481 1.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7289 1.8595 -0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 0.8294 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 0.8347 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -1.0429 1.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 2.5300 -1.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.0195 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 0.3013 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5581 -1.5530 1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6896 -0.8822 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3611 2.0770 0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9995 -2.2550 0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 -0.5096 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7849 -1.7770 -0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -3.5309 -1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1324 0.7922 0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 -0.4563 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 -1.6350 -2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4304 -3.1043 -3.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 -1.7316 -2.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.7644 -1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2654 -1.9333 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 2.2700 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 -3.9916 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4446 -1.6198 1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 3.4509 -1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 2.5603 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4534 0.8088 -0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -2.4766 1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6781 -1.2805 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7937 1.7697 1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9797 3.2540 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 24 2 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 14 2 0 0 0 0 4 17 1 0 0 0 0 5 24 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M END > DB03220 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OODDZQQDDOVCFD-SCLBCKFNSA-N/SDF?record_type=3d > C[C@H](O)[C@@H](CCC1=C2C=CC=CC2=CC=C1)N1C=NC(=C1)C(N)=O > InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1 > OODDZQQDDOVCFD-SCLBCKFNSA-N > C19H21N3O2 > 323.3889 > 323.163376931 > 3 > 45 > 0.00016993322508262738 > 35.34856859542995 > 1 > 2 > 0 > 1 > 1-[(3R,4S)-4-hydroxy-1-(naphthalen-1-yl)pentan-3-yl]-1H-imidazole-4-carboxamide > 2.44 > 2.5483623053333333 > -4.20 > 1 > 0 > 3 > 0 > 14.859379885613196 > 13.80815194730255 > 3.2307846679620935 > 81.14 > 93.41600000000001 > 6 > 1 > 2.02e-02 g/l > azoxystrobin > 0 $$$$