70140509 -OEChem-05132414282D 71 74 0 1 0 0 0 0 0999 V2000 14.1059 -2.8044 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.8494 -1.8245 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 3.2847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4087 0.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 1.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2688 -0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2573 -1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1406 0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1175 -1.8045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0008 -0.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9892 -1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8682 -0.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8620 3.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7168 -1.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1478 0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5413 -0.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 38 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 19 1 0 0 0 0 4 22 1 0 0 0 0 5 18 2 0 0 0 0 6 26 1 0 0 0 0 6 33 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 48 1 0 0 0 0 9 28 1 0 0 0 0 9 31 2 0 0 0 0 10 30 1 0 0 0 0 10 32 1 0 0 0 0 10 64 1 0 0 0 0 11 30 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 55 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 27 2 0 0 0 0 25 62 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 29 63 1 0 0 0 0 31 65 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 36 1 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 35 70 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 M END > 70140509 > 1 > 740 > 10 > 2 > 12 > AAADcfB7uQAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHwIQAAAADS7hni43/vfIFACoAybzbACCiCkxJ6AJ2KG+7piPburF+/uXPCru0Bva6Cew0BMOIEABAgICQABAgAIEBASAAAAAAAAAAA== > isobutyl 4-[3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypropyl]piperazine-2-carboxylate > 4-[3-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]propyl]-2-piperazinecarboxylic acid 2-methylpropyl ester > 2-methylpropyl 4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazine-2-carboxylate > 2-methylpropyl 4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazine-2-carboxylate > 2-methylpropyl 4-[3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypropyl]piperazine-2-carboxylate > 4-[3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypropyl]piperazine-2-carboxylic acid isobutyl ester > InChI=1S/C27H33ClFN5O4/c1-17(2)15-38-27(35)23-14-34(9-7-30-23)8-4-10-37-25-12-19-22(13-24(25)36-3)31-16-32-26(19)33-18-5-6-21(29)20(28)11-18/h5-6,11-13,16-17,23,30H,4,7-10,14-15H2,1-3H3,(H,31,32,33) > TVSZSRHBJNJIFN-UHFFFAOYSA-N > 5.1 > 545.2205104 > C27H33ClFN5O4 > 546.0 > CC(C)COC(=O)C1CN(CCN1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC > CC(C)COC(=O)C1CN(CCN1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC > 97.8 > 545.2205104 > 0 > 38 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 30 8 11 31 8 13 18 3 22 25 8 22 26 8 25 27 8 26 29 8 27 28 8 27 30 8 28 29 8 32 34 8 32 35 8 34 36 8 35 37 8 36 38 8 37 38 8 9 28 8 9 31 8 $$$$