25262965 -OEChem-10051722523D 65 69 0 1 0 0 0 0 0999 V2000 -4.3898 4.4489 -0.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7233 -4.6001 0.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4589 -0.4750 0.4805 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7693 -0.6903 -2.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 2.2867 -0.1234 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0826 -2.3615 0.0254 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -0.0439 -0.0508 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 -1.4288 0.0952 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 -0.5108 0.1674 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7751 2.6606 0.8172 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5099 -2.3043 -0.3445 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8728 2.7434 -1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1094 4.1503 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0928 1.0218 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4964 -3.7070 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2858 -3.2894 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2345 4.2199 -1.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 -1.2233 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3836 -4.6026 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 2.4467 2.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7051 0.9300 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7044 -2.6278 -1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 -0.3533 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1347 2.0533 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9736 0.5863 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5059 1.8814 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3884 0.3097 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0046 -0.4541 -0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 0.8067 1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3718 -0.7210 -0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 -0.2239 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5062 0.5398 1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 -1.5403 -1.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1483 0.0719 1.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6668 2.0642 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -1.3113 -0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 2.1625 -1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 2.5898 -2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 4.4094 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2932 4.7967 0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 -3.7057 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4015 -4.1164 -0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2869 -2.9581 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3307 -3.3545 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4063 4.8444 -1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4689 4.5306 -2.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 -5.6330 0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 -4.2817 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 2.9826 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2006 1.3862 2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 2.7981 2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3789 -3.6423 -2.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -1.9327 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7602 -2.5387 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 3.0659 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1665 2.7416 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4229 -0.8385 -1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6761 1.3994 2.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 0.9574 2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6799 -2.2954 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 -2.0680 -2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1785 -1.2564 -3.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1983 -0.2255 1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7811 -0.3468 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1275 1.1670 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 31 1 0 0 0 0 3 34 1 0 0 0 0 4 33 1 0 0 0 0 4 62 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 14 2 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 8 23 1 0 0 0 0 9 23 1 0 0 0 0 9 25 2 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 24 26 2 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 29 32 2 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > DB12774 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KVLFRAWTRWDEDF-IRXDYDNUSA-N/SDF?record_type=3d > COC1=CC=C(C=C1CO)C1=CC=C2C(=N1)N=C(N=C2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C > InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1 > KVLFRAWTRWDEDF-IRXDYDNUSA-N > C25H31N5O4 > 465.554 > 465.237604498 > 9 > 65 > 51.69563403647454 > 1 > 1 > 0 > 0 > (5-{2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol > 2.87 > 3.5259297356666655 > -3.29 > 0 > 5 > 0 > 14.586175637761098 > 2.0037491828269607 > 93.07000000000001 > 132.36299999999997 > 5 > 1 > 2.41e-01 g/l > (5-{2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl}-2-methoxyphenyl)methanol > 0 $$$$