9874913 -OEChem-10051722443D 62 65 0 0 0 0 0 0 0999 V2000 5.0572 0.7929 -1.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1811 -5.7822 0.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9341 -3.7394 0.8542 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3637 1.9799 -0.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4647 4.0236 0.3587 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4765 4.6886 1.5064 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4866 -3.2118 -1.3679 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 -2.4088 0.7142 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4154 2.5966 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 2.8965 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0056 1.6799 -0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0822 3.5525 1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0587 1.4120 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3751 1.1729 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 0.9401 -2.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5607 1.2394 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 1.0811 -1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3992 3.2874 1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 1.8208 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0458 2.1118 1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 1.5214 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0464 -0.0505 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 0.4706 -3.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2009 4.8626 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6808 -0.8465 -1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3936 -2.1064 -1.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -0.1988 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7055 -0.0198 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -1.4007 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 -1.0339 1.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4139 -2.1985 1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3296 -3.9435 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -5.0502 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 -3.3078 2.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 -6.8319 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 0.6712 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8939 1.6288 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 1.1304 -2.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9464 4.0064 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 2.1505 1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0754 1.9507 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 1.6443 1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9138 -0.3361 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 -0.5529 -3.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7559 0.4731 -4.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3195 1.1252 -3.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 5.7797 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -0.5847 -1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7195 -2.0562 -2.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2731 -2.2824 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 -3.4560 -2.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 0.9068 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9469 -1.6182 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0740 -0.9059 1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3457 -4.5979 -0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 -5.7136 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -2.9690 3.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 -4.1587 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 -3.6572 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 -7.5422 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -6.4237 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 -7.3575 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 27 1 0 0 0 0 2 33 1 0 0 0 0 2 35 1 0 0 0 0 3 32 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 37 1 0 0 0 0 5 10 2 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 24 2 0 0 0 0 7 26 1 0 0 0 0 7 32 1 0 0 0 0 7 51 1 0 0 0 0 8 29 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 11 16 2 0 0 0 0 11 19 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 34 1 0 0 0 0 32 33 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 > DB12302 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LLVZBTWPGQVVLW-SNAWJCMRSA-N/SDF?record_type=3d > COCC(=O)NC\C=C\C1=CC=C2N=CN=C(NC3=CC=C(OC4=CC=C(C)N=C4)C(C)=C3)C2=C1 > InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+ > LLVZBTWPGQVVLW-SNAWJCMRSA-N > C27H27N5O3 > 469.545 > 469.211389749 > 6 > 62 > 52.10359894210194 > 1 > 2 > 0 > 0 > 2-methoxy-N-[(2E)-3-[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-6-yl]prop-2-en-1-yl]acetamide > 4.49 > 3.767261328000001 > -5.32 > 1 > 4 > 0 > 16.562171909766004 > 14.714443220102638 > 5.194708730425857 > 98.26 > 136.006 > 9 > 1 > 2.23e-03 g/l > 2-methoxy-N-[(2E)-3-[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-6-yl]prop-2-en-1-yl]acetamide > 0 $$$$