91663352 -OEChem-09082317413D 62 65 0 1 0 0 0 0 0999 V2000 1.9611 -1.7917 1.0736 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2911 -4.2131 -0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 0.9122 -1.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4396 1.1020 -0.7668 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 2.5065 0.4989 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9615 -0.7208 -0.3278 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0628 -2.0441 0.9758 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0519 1.7083 1.4549 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 1.8607 -1.4504 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5177 2.5286 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1133 2.8524 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 2.2091 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0252 3.4646 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3099 2.8256 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1886 -0.1745 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1751 4.0809 1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8175 3.7615 1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8037 -1.9405 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -2.5248 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 -0.8244 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 1.5996 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8358 -2.5904 0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3807 -1.8727 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 -3.7406 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8899 -2.4366 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 1.4978 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0553 -3.6523 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0498 -4.3042 -0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0661 1.1159 -1.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4298 1.0301 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 1.7809 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 1.3338 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 0.6254 -1.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 -2.1063 2.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 -3.8587 -1.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8547 1.1929 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2572 1.5888 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7814 3.5420 -1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 3.4524 -2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7193 2.3239 -3.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 1.4772 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0802 3.7244 0.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5706 4.8088 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1671 4.2495 2.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5873 3.0388 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2120 -0.3962 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7231 -3.5694 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 -0.9247 1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -4.2626 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0719 -5.2515 -1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6915 0.8889 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1261 2.0511 2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9202 1.2868 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -0.1435 -2.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6570 1.4908 -2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3033 0.2036 -1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -1.5195 2.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 -3.1691 2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4662 -1.8428 3.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0147 -4.3798 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 -2.7804 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5373 -4.1676 -2.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 34 1 0 0 0 0 2 27 1 0 0 0 0 2 35 1 0 0 0 0 3 21 2 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 37 1 0 0 0 0 5 14 1 0 0 0 0 5 21 1 0 0 0 0 5 45 1 0 0 0 0 6 15 2 0 0 0 0 6 18 1 0 0 0 0 7 20 2 0 0 0 0 7 22 1 0 0 0 0 8 31 1 0 0 0 0 8 32 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 13 16 2 0 0 0 0 13 42 1 0 0 0 0 14 17 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 46 1 0 0 0 0 21 26 1 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 28 2 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 26 29 1 0 0 0 0 26 31 2 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 M END > DB18072 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JHJNPOSPVGRIAN-SFHVURJKSA-N/SDF?record_type=3d > COC1=CC=C(C=C1OC)C1=CN=CC(N[C@@H](C)C2=CC=CC(NC(=O)C3=CN=CC(C)=C3)=C2)=N1 > InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1 > JHJNPOSPVGRIAN-SFHVURJKSA-N > C27H27N5O3 > 469.545 > 469.211389749 > 7 > 62 > 1.9936718896048151 > 51.537647725432954 > 1 > 2 > 0 > 0 > N-{3-[(1S)-1-{[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}-5-methylpyridine-3-carboxamide > 3.851551685666667 > 1 > 0 > 4 > 0 > 16.83057078107451 > 15.062876025461339 > 3.9951752140294845 > 98.26 > 137.39129999999994 > 8 > 1 > N-{3-[(1S)-1-{[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}-5-methylpyridine-3-carboxamide > 0 $$$$