44141871 -OEChem-10051721193D 50 54 0 0 0 0 0 0 0999 V2000 -1.3635 1.0255 -0.4903 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 2.4500 -0.4877 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 2.3678 -0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1176 -0.3585 0.6014 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -3.7722 -0.9726 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 0.6033 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1998 1.4176 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8698 -0.6531 1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 1.3156 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -1.7531 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3536 1.2377 0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 1.2890 1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 1.2442 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 1.1191 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5736 1.1907 0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 1.1458 -1.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1221 1.0070 0.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5699 0.8588 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2154 0.5159 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -0.5305 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0421 -2.3474 0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 -2.1672 -0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2644 1.9412 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 1.7610 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 0.3009 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0258 -1.7672 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4965 -3.3434 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 -3.1713 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1519 -0.9460 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3765 -1.9811 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 -1.0537 1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2495 -0.4405 2.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3364 0.9259 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 3.2429 -1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3893 1.3504 2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.2596 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 1.1798 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 1.0898 -2.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 1.9386 1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 0.1520 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5507 -2.0502 1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7457 -1.7334 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 2.9024 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1798 2.5973 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 1.1045 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4399 -2.5944 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5739 -3.8381 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6172 -3.5311 -2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2019 -1.1083 -0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8191 -2.9573 0.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 34 1 0 0 0 0 3 11 2 0 0 0 0 4 18 2 0 0 0 0 4 20 1 0 0 0 0 5 27 2 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 21 2 0 0 0 0 10 22 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 16 2 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 20 26 2 0 0 0 0 21 27 1 0 0 0 0 21 41 1 0 0 0 0 22 28 2 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > DB08384 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RQDDHVVAAJVVKM-UHFFFAOYSA-N/SDF?record_type=3d > C(OC1=CC=C(C=C1)C1=NNC=C1CC1=CC=NC=C1)C1=NC2=CC=CC=C2C=C1 > InChI=1S/C25H20N4O/c1-2-4-24-19(3-1)5-8-22(28-24)17-30-23-9-6-20(7-10-23)25-21(16-27-29-25)15-18-11-13-26-14-12-18/h1-14,16H,15,17H2,(H,27,29) > RQDDHVVAAJVVKM-UHFFFAOYSA-N > C25H20N4O > 392.4525 > 392.163711282 > 4 > 50 > 0.015556866359259717 > 43.27747363211192 > 1 > 1 > 0 > 1 > 2-[(4-{4-[(pyridin-4-yl)methyl]-1H-pyrazol-3-yl}phenoxy)methyl]quinoline > 4.83 > 4.9905554930000005 > -5.33 > 1 > 0 > 5 > 0 > 15.622337453994172 > 5.19900969005331 > 63.69 > 116.5648 > 6 > 1 > 1.82e-03 g/l > biotin > 0 $$$$