11524144 -OEChem-02112006243D 55 59 0 0 0 0 0 0 0999 V2000 -4.2587 1.5512 0.2289 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2291 -0.5430 -0.3857 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 1.6339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 -0.7461 0.0363 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 2.5518 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1109 -2.8337 -0.1357 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5210 -0.9558 0.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4665 -0.3044 -1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3618 -2.2330 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3382 -1.5605 -1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6476 -2.0681 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3856 0.6520 -0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 0.3713 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 1.3825 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1408 1.0411 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 2.3232 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3282 0.2730 0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 0.8605 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7212 2.1518 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 0.1016 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 0.3340 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4388 0.4462 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 1.8758 0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 -0.4880 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3424 -0.6639 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6849 1.8255 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6159 -0.5449 0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9562 -1.8715 -0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4534 -1.6476 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -2.9149 -0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0395 -0.1587 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6129 -1.2045 1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2235 -0.0240 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0378 0.5252 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6053 -2.4948 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7791 -3.0668 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8233 -2.3461 -1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2732 -1.3445 -1.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1827 -3.0225 0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3082 -1.3559 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8783 1.5029 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1899 0.9696 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5692 -0.4624 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1609 0.1234 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 3.1873 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 -0.4637 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1288 2.8945 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5219 -0.7601 1.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 2.9211 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -1.3527 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6318 2.3451 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9638 0.3716 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9996 -2.0273 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4542 -1.6045 0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 -3.8720 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 21 1 0 0 0 0 4 24 2 0 0 0 0 5 26 2 0 0 0 0 6 29 2 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 17 20 2 0 0 0 0 17 46 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END > DB08597 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XHBVYDAKJHETMP-UHFFFAOYSA-N/SDF?record_type=3d > C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1 > InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2 > XHBVYDAKJHETMP-UHFFFAOYSA-N > C24H25N5O > 399.4882 > 399.205910447 > 5 > 55 > 0.9856034517482286 > 45.74609246857065 > 1 > 0 > 0 > 1 > 4-(6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine > 3.84 > 3.441090306333334 > -4.43 > 1 > 1 > 5 > 1 > 8.807710513378089 > 55.55 > 128.5134 > 6 > 1 > 1.48e-02 g/l > decyl formate > 0 $$$$