68833377 -OEChem-04252410342D 68 71 0 1 0 0 0 0 0999 V2000 7.7331 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 37 1 0 0 0 0 3 11 1 0 0 0 0 3 21 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 28 1 0 0 0 0 6 21 1 0 0 0 0 6 55 1 0 0 0 0 6 56 1 0 0 0 0 7 23 1 0 0 0 0 7 27 1 0 0 0 0 7 59 1 0 0 0 0 8 27 2 0 0 0 0 8 40 1 0 0 0 0 9 36 1 0 0 0 0 9 40 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 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 20 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 22 24 3 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 36 2 0 0 0 0 26 32 2 0 0 0 0 26 33 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 33 62 1 0 0 0 0 34 37 1 0 0 0 0 34 63 1 0 0 0 0 35 38 2 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 37 39 2 0 0 0 0 38 39 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 > 68833377 > 1 > 853 > 7 > 2 > 13 > AAADceB7sQAEAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHwIQAAAADB7hmi4//pbIFADoEjZnfAiCiCkxJ+AJ2CAub5mMLuPF+9uOPCjs0BPI6CewwOAOAEACAAIACAAAgAQABAAQAAAAAAAAAA== > 1-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]phenyl]pentyl carbamate > carbamic acid 1-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-5-pyrimidinyl]ethynyl]phenyl]pentyl ester > 1-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]phenyl]pentyl carbamate > 1-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]phenyl]pentyl carbamate > 1-[3-[2-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]pyrimidin-5-yl]ethynyl]phenyl]pentyl carbamate > carbamic acid 1-[3-[2-[4-[3-chloro-4-(3-fluorobenzyl)oxy-anilino]pyrimidin-5-yl]ethynyl]phenyl]pentyl ester > InChI=1S/C31H28ClFN4O3/c1-2-3-10-28(40-31(34)38)23-8-4-6-21(15-23)11-12-24-18-35-20-36-30(24)37-26-13-14-29(27(32)17-26)39-19-22-7-5-9-25(33)16-22/h4-9,13-18,20,28H,2-3,10,19H2,1H3,(H2,34,38)(H,35,36,37) > ZKWPSBUXBNZDPF-UHFFFAOYSA-N > 7.2 > 558.1833966 > C31H28ClFN4O3 > 559.0 > CCCCC(C1=CC=CC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)OC(=O)N > CCCCC(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 14 16 8 14 17 8 16 18 8 17 19 8 18 20 8 19 20 8 23 30 8 23 31 8 25 27 8 25 36 8 26 32 8 26 33 8 29 34 8 29 35 8 30 32 8 31 33 8 34 37 8 35 38 8 37 39 8 38 39 8 8 27 8 8 40 8 9 36 8 9 40 8 $$$$