3033538 -OEChem-10051719113D 51 54 0 0 0 0 0 0 0999 V2000 -0.2158 1.1103 -0.2362 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9416 0.2846 -0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2253 -0.1384 0.2326 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 2.0083 -0.1166 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5829 1.4646 -0.3612 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5989 0.0518 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.0512 -1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1926 0.9810 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0563 0.2088 1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5433 1.2426 -1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1001 1.1352 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -1.4561 0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5339 1.0276 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7195 -2.5541 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1740 -2.1674 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 -0.8705 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5032 0.1683 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -0.0013 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9241 -1.0468 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 0.7615 1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2836 -1.3173 -0.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.8865 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4615 0.4908 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0523 -0.5484 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 0.0856 1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4537 -0.9406 0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 0.0916 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7902 1.8435 -2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 0.0203 -1.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4512 1.7650 -1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 -0.6497 1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 1.1142 1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 2.2643 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1522 1.1116 -1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 0.3917 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 2.1167 1.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 -1.6156 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -1.4633 1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5974 -2.7186 -0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4716 -3.4969 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8472 -2.9737 0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3057 -2.0389 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6889 -1.0742 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5098 -0.4995 0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6634 1.5803 1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7602 -2.1222 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6957 -2.7509 -1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8287 -1.3008 -2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2288 -2.2785 -1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0604 1.0902 1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1110 -0.7585 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 17 2 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 M END > DB00298 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RFWZESUMWJKKRN-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1 > InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3 > RFWZESUMWJKKRN-UHFFFAOYSA-N > C19H27N5 > 325.4512 > 325.226645889 > 4 > 51 > 0.8119798225145433 > 38.22537003271223 > 1 > 0 > 0 > 1 > 1-(2-methylphenyl)-4-(2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)piperazine > 2.78 > 2.415873690666666 > -2.64 > 0 > 1 > 4 > 1 > 7.635235282120371 > 37.19 > 100.22160000000001 > 4 > 1 > 7.51e-01 g/l > tetrahydrofolic acid > 1 $$$$