16039797 -OEChem-05201910283D 61 64 0 1 0 0 0 0 0999 V2000 -4.9603 2.3498 -2.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0313 -3.6673 0.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 -0.0292 2.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 -4.0321 -1.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 1.7522 1.7363 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6627 1.7467 -0.8573 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6631 1.4012 1.0333 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2011 0.3921 0.1465 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9251 0.3949 0.0053 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 0.5426 -1.3675 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5964 2.8901 -0.0132 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6025 1.1270 -0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3658 1.1112 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8703 2.1267 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3476 1.8672 -1.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3393 1.3569 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 0.8612 -0.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3529 -3.9761 -0.6633 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7339 0.9324 1.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5246 0.4368 1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 -2.3504 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2154 -4.8038 -1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 -0.5131 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -1.8620 1.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -0.1412 1.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6693 -4.7378 -0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 -1.4901 0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 0.3474 1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 0.7561 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -4.7629 -1.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 1.0538 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4752 2.2067 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3501 2.3787 -1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9952 1.2257 -1.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 3.1085 -1.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5196 1.4995 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8120 0.1653 -1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0104 0.1114 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4344 1.7464 1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1317 3.1778 -1.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8650 1.8775 -2.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 0.8155 -1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4511 -3.0611 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 0.9701 2.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 -5.0893 -2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0633 -5.7102 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1363 -2.5337 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 -4.1378 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9465 -5.0086 -1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6063 -5.6529 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -1.9087 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5621 1.3975 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 -0.4193 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9047 -5.0415 -2.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 -5.6571 -1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9697 -4.1243 -1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 2.6777 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5956 0.8087 -2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5555 3.4329 -2.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7273 3.9979 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4696 2.4647 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 4 22 1 0 0 0 0 4 30 1 0 0 0 0 5 29 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 7 19 2 0 0 0 0 8 17 1 0 0 0 0 8 20 2 0 0 0 0 9 29 1 0 0 0 0 9 31 1 0 0 0 0 9 53 1 0 0 0 0 10 31 2 0 0 0 0 10 34 1 0 0 0 0 11 32 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 21 24 1 0 0 0 0 21 27 2 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 32 57 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > DB14810 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FJEJHJINOKKDCW-INIZCTEOSA-N/SDF?record_type=3d > COC[C@H](C)OC1=CC(=CC(OC2=NC=C(N=C2)C(=O)N2CCC2)=C1)C(=O)NC1=NC=C(C)N=C1 > InChI=1S/C24H26N6O5/c1-15-10-27-21(12-25-15)29-23(31)17-7-18(34-16(2)14-33-3)9-19(8-17)35-22-13-26-20(11-28-22)24(32)30-5-4-6-30/h7-13,16H,4-6,14H2,1-3H3,(H,27,29,31)/t16-/m0/s1 > FJEJHJINOKKDCW-INIZCTEOSA-N > C24H26N6O5 > 478.509 > 478.196467961 > 8 > 61 > 50.24729258461241 > 1 > 1 > 0 > 1 > 3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-{[(2S)-1-methoxypropan-2-yl]oxy}-N-(5-methylpyrazin-2-yl)benzamide > 1.92 > 0.7992191233333341 > -4.03 > 1 > 4 > 0 > 13.093521192386069 > 0.5848887778053092 > 128.66 > 127.74489999999997 > 9 > 1 > 4.43e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$