5533 -OEChem-10051719203D 48 51 0 0 0 0 0 0 0999 V2000 7.5278 1.7428 1.4701 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.2348 -2.0684 -0.1907 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2688 -0.9158 0.6862 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0131 -0.3393 0.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 -0.9567 -0.4653 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 0.2619 -0.1781 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7699 0.3609 -0.4947 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 0.1534 1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2091 -2.0000 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 0.7304 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3671 -1.4952 -0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8599 -1.4217 1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 -2.4972 0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 -2.0308 -0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3176 0.0110 -0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 0.6337 0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8012 -0.2496 -1.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5628 -1.0499 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8666 1.0303 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 0.9813 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1018 0.0984 -1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9452 0.7136 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2418 0.7548 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0372 2.4991 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4200 2.0830 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2808 2.9699 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 -0.2187 2.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2613 0.9671 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7396 -2.8001 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 -2.4465 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7138 1.2545 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6324 1.4749 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0828 -2.3174 -0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 -1.2173 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 -1.8466 2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5364 -0.5990 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0539 -3.4074 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 -2.8062 1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4478 -1.7175 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7611 -2.8729 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8432 0.8347 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1695 -0.7161 -2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4570 -0.1071 -2.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9558 0.9799 -1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0524 0.0445 0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1748 3.1429 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4011 2.5174 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4652 4.0376 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 18 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 19 2 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M END > DB00656 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PHLBKPHSAVXXEF-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1 > InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2 > PHLBKPHSAVXXEF-UHFFFAOYSA-N > C19H22ClN5O > 371.864 > 371.151288058 > 4 > 48 > 0.5505087311206067 > 40.122867730596326 > 1 > 0 > 0 > 1 > 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one > 2.68 > 3.1318566039999984 > -3.11 > 0 > 1 > 4 > 0 > 7.08804426285065 > 42.39000000000001 > 105.87960000000001 > 5 > 1 > 2.90e-01 g/l > tetrahydrofolic acid > 0 $$$$