176167 -OEChem-10061700063D 68 74 0 0 0 0 0 0 0999 V2000 -2.4911 -3.0071 -2.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8342 0.9137 -3.1264 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5472 -1.6803 0.3624 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7319 -0.9975 -0.2814 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8524 -1.1847 -3.2908 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 3.3072 0.0173 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 1.2387 -1.1709 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.6480 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 -0.2189 0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7513 -2.4639 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 -0.2316 0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -2.3908 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 -2.2065 1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 -1.1820 -0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1863 -0.9486 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4519 -1.3860 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6294 -2.0337 0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 -0.9974 -1.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1555 -2.8162 2.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7519 -2.4909 1.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 0.4618 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1383 0.1596 -1.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2837 -3.2618 3.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -1.8837 -2.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5628 -3.1027 2.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0783 1.3229 -0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0551 0.0523 -2.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8517 1.6150 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6472 0.8643 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 2.3844 -0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4373 2.8639 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8679 0.9325 1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1099 2.1728 0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9904 3.4666 2.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 2.5041 -1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 4.5638 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 3.0148 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4304 1.5231 2.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 2.7708 2.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 -2.1187 1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 0.3221 1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 0.3384 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5146 -2.0936 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 -3.5109 -0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 -0.6500 1.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3975 0.8167 0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -2.9349 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5269 -2.9051 0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 -0.7238 -1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -1.4333 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6655 -1.5018 -0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 -2.9498 2.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7557 -2.3761 1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1601 -3.7399 4.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4249 -3.4573 3.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3427 -1.5409 -4.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0221 0.2004 1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 2.5558 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2183 -0.0403 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8485 2.5359 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6574 4.4376 2.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2705 3.1201 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 4.6524 -0.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 5.3769 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 4.5805 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9693 4.0386 -0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2145 1.0012 2.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 3.2110 3.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 27 2 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 5 56 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 6 36 1 0 0 0 0 7 21 1 0 0 0 0 7 35 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 16 2 0 0 0 0 14 49 1 0 0 0 0 15 21 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 2 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 23 1 0 0 0 0 19 52 1 0 0 0 0 20 25 1 0 0 0 0 20 53 1 0 0 0 0 21 29 2 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 34 2 0 0 0 0 32 38 1 0 0 0 0 32 59 1 0 0 0 0 33 37 2 0 0 0 0 33 60 1 0 0 0 0 34 39 1 0 0 0 0 34 61 1 0 0 0 0 35 37 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 38 39 2 0 0 0 0 38 67 1 0 0 0 0 39 68 1 0 0 0 0 M END > DB06486 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AXRCEOKUDYDWLF-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12 > InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) > AXRCEOKUDYDWLF-UHFFFAOYSA-N > C32H29N5O2 > 515.617 > 515.232125194 > 4 > 68 > 56.736922847701365 > 1 > 1 > 0 > 0 > 3-(1-methyl-1H-indol-3-yl)-4-(1-{1-[(pyridin-2-yl)methyl]piperidin-4-yl}-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione > 4.86 > 3.960227490666667 > -4.76 > 0 > 7 > 1 > 9.714809048040037 > 7.556762898307855 > 72.16 > 151.60659999999996 > 5 > 0 > 9.03e-03 g/l > enzastaurin > 0 $$$$