69608224 -OEChem-05122415422D 68 71 0 1 0 0 0 0 0999 V2000 4.5981 -3.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -7.8100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 7.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 6.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 6.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 4.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 6.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 5.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 6.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 7.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 6.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 5.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 4.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 4.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -4.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -4.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 37 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 20 2 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 20 1 0 0 0 0 6 55 1 0 0 0 0 6 56 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 57 1 0 0 0 0 8 25 2 0 0 0 0 8 39 1 0 0 0 0 9 32 1 0 0 0 0 9 39 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 16 51 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 3 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 32 2 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 33 2 0 0 0 0 27 34 1 0 0 0 0 28 31 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 33 1 0 0 0 0 29 60 1 0 0 0 0 30 34 2 0 0 0 0 30 61 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 32 63 1 0 0 0 0 34 62 1 0 0 0 0 35 37 1 0 0 0 0 35 64 1 0 0 0 0 36 38 2 0 0 0 0 36 65 1 0 0 0 0 37 40 2 0 0 0 0 38 40 1 0 0 0 0 38 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 M END > 69608224 > 1 > 889 > 7 > 2 > 11 > AAADceB7sQAEAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHwIQAAAADh7hmi4//pbIFADoEjZnfAiCiCkxJ+AJ2CAub5mMLuPF+9uOPCjs0BPI6CewwOAPAEACAAIACAAAgAQABAAQAAAAAAAAAA== > [1-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]phenyl]-2,2-dimethyl-propyl] carbamate > carbamic acid [1-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-5-pyrimidinyl]ethynyl]phenyl]-2,2-dimethylpropyl] ester > [1-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]phenyl]-2,2-dimethylpropyl] carbamate > [1-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]phenyl]-2,2-dimethylpropyl] carbamate > [1-[3-[2-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]pyrimidin-5-yl]ethynyl]phenyl]-2,2-dimethyl-propyl] carbamate > carbamic acid [1-[3-[2-[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]pyrimidin-5-yl]ethynyl]phenyl]-2,2-dimethyl-propyl] ester > InChI=1S/C31H28ClFN4O3/c1-31(2,3)28(40-30(34)38)22-8-4-6-20(14-22)10-11-23-17-35-19-36-29(23)37-25-12-13-27(26(32)16-25)39-18-21-7-5-9-24(33)15-21/h4-9,12-17,19,28H,18H2,1-3H3,(H2,34,38)(H,35,36,37) > SBTIWQNGIMIPEK-UHFFFAOYSA-N > 7.2 > 558.1833966 > C31H28ClFN4O3 > 559.0 > CC(C)(C)C(C1=CC=CC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)OC(=O)N > CC(C)(C)C(C1=CC=CC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)OC(=O)N > 99.4 > 558.1833966 > 0 > 40 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 10 3 15 16 8 15 17 8 16 18 8 17 19 8 18 21 8 19 21 8 24 25 8 24 32 8 26 29 8 26 30 8 27 33 8 27 34 8 29 33 8 30 34 8 31 35 8 31 36 8 35 37 8 36 38 8 37 40 8 38 40 8 8 25 8 8 39 8 9 32 8 9 39 8 $$$$