16038120 -OEChem-03192404252D 82 86 0 0 0 0 0 0 0999 V2000 8.0622 6.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 26 1 0 0 0 0 3 30 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 23 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 66 1 0 0 0 0 10 29 1 0 0 0 0 10 36 2 0 0 0 0 11 29 2 0 0 0 0 11 40 1 0 0 0 0 12 33 1 0 0 0 0 12 36 1 0 0 0 0 12 77 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 26 1 0 0 0 0 24 63 1 0 0 0 0 25 27 2 0 0 0 0 25 64 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 38 2 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 39 1 0 0 0 0 37 41 1 0 0 0 0 37 78 1 0 0 0 0 38 42 1 0 0 0 0 38 79 1 0 0 0 0 39 40 2 0 0 0 0 40 81 1 0 0 0 0 41 42 2 0 0 0 0 41 80 1 0 0 0 0 42 82 1 0 0 0 0 M END > 16038120 > 1 > 940 > 10 > 2 > 9 > AAADcfB7sABEAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAAB0AAAHgYQAAAACC7F0ia/95fIFAqgADZnZHDCiCkxK7AJ2DwvbJiObuLk+dvVNChu0Bv46CeQUAMAAACAAgAAEQAAAQAEAAAiAAAAAAAAAA== > 5-chloro-N4-(2-isopropylsulfonylphenyl)-N2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]phenyl]pyrimidine-2,4-diamine > 5-chloro-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine > 5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine > 5-chloro-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine > 5-chloranyl-N2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine > [5-chloro-4-(2-isopropylsulfonylanilino)pyrimidin-2-yl]-[2-methoxy-4-[4-(4-methylpiperazino)piperidino]phenyl]amine > InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) > QQWUGDVOUVUTOY-UHFFFAOYSA-N > 5.7 > 613.2601870 > C30H40ClN7O3S > 614.2 > CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC > CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC > 111 > 613.2601870 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 29 8 10 36 8 11 29 8 11 40 8 22 24 8 22 25 8 24 26 8 25 27 8 26 28 8 27 28 8 32 33 8 32 37 8 33 38 8 36 39 8 37 41 8 38 42 8 39 40 8 41 42 8 $$$$