9849699 -OEChem-10051722543D 71 75 0 1 0 0 0 0 0999 V2000 4.9004 0.5655 0.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8627 -1.3216 2.4505 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 -2.3874 -0.9792 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5916 1.8970 0.3088 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 -2.6586 -0.2228 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6553 3.4790 -1.0277 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3599 -0.2787 -0.0114 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7282 2.9564 1.1238 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2969 -3.1209 -0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -1.9246 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0858 -2.1965 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 -4.2841 0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -3.6257 -1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5314 -1.6942 1.1097 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0717 -2.0477 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 -0.4916 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9392 -2.6207 0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 -1.5889 -1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2474 2.0977 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4935 1.4396 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 2.0867 0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 2.9753 -1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1886 2.9578 0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2984 -2.7347 0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9225 -1.7029 -1.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -2.2759 -0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3389 1.6834 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7337 3.2293 -2.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 1.4134 1.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 2.5654 -2.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0159 3.1909 0.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7295 1.6363 2.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 2.5123 2.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9425 -1.3360 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2973 -1.4212 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1062 -0.3525 -0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5435 0.7530 0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1777 0.7410 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3617 1.8845 0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -1.7282 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -1.0065 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 -3.4026 -0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -2.9972 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 -1.3861 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 -5.0073 0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 -4.8402 0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2099 -3.9617 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6795 -4.4072 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 -4.0698 -1.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0376 -2.8193 -2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2163 -2.4994 0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7967 -0.1482 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5821 -0.8023 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5689 -2.9825 1.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -1.1363 -2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7766 -2.1150 3.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 4.1425 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9681 -3.1833 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 -1.3433 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3216 1.2277 -1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 3.9176 -3.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6649 0.7322 2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6364 2.7472 -3.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7619 3.8727 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 1.1195 3.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1532 2.6709 2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7201 -2.2909 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1709 -0.4025 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6371 1.5463 0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2775 3.7574 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7374 3.0217 1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 56 1 0 0 0 0 3 26 1 0 0 0 0 3 34 1 0 0 0 0 4 39 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 42 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 57 1 0 0 0 0 7 34 2 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 70 1 0 0 0 0 8 71 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 16 1 0 0 0 0 14 51 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 24 1 0 0 0 0 17 54 1 0 0 0 0 18 25 2 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 27 2 0 0 0 0 21 23 1 0 0 0 0 21 29 2 0 0 0 0 22 28 1 0 0 0 0 23 31 2 0 0 0 0 24 26 2 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 28 30 2 0 0 0 0 28 61 1 0 0 0 0 29 32 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 33 2 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 69 1 0 0 0 0 M END > DB12858 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RBSGUQYXRDKPAE-QFIPXVFZSA-N/SDF?record_type=3d > CC(C)(CC1=CC=C(OC2=CC=C(C=N2)C(N)=O)C=C1)NC[C@H](O)COC1=CC=CC2=C1C1=C(N2)C=CC=C1 > InChI=1S/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/m0/s1 > RBSGUQYXRDKPAE-QFIPXVFZSA-N > C31H32N4O4 > 524.621 > 524.242355526 > 5 > 71 > 57.80513947498727 > 0 > 4 > 0 > 0 > 6-[4-(2-{[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino}-2-methylpropyl)phenoxy]pyridine-3-carboxamide > 4.38 > 4.376474662333332 > -6.16 > 1 > 5 > 1 > 14.124377569240082 > 13.369968362630736 > 9.504838237905213 > 122.49 > 150.52269999999996 > 11 > 0 > 3.66e-04 g/l > 6-[4-(2-{[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino}-2-methylpropyl)phenoxy]pyridine-3-carboxamide > 0 $$$$