58809418 -OEChem-04252423152D 69 72 0 1 0 0 0 0 0999 V2000 5.5321 3.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -5.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -5.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -4.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3981 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 -4.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5741 -3.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0181 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 7.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1722 4.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5522 5.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 25 2 0 0 0 0 3 31 1 0 0 0 0 3 36 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 18 6 1 1 0 0 0 6 20 1 0 0 0 0 6 49 1 0 0 0 0 7 16 1 0 0 0 0 7 20 2 0 0 0 0 8 16 2 0 0 0 0 8 22 1 0 0 0 0 9 17 1 0 0 0 0 9 27 1 0 0 0 0 9 50 1 0 0 0 0 10 25 1 0 0 0 0 10 61 1 0 0 0 0 10 62 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 47 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 28 2 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 27 31 1 0 0 0 0 27 32 2 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 32 63 1 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 34 35 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M END > 58809418 > 1 > 730 > 7 > 3 > 8 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAQAAAADSzBnwYz9vfIFACoAydydACCiCkhIqAJmKG/bJiObrLE+fuVNChs1hPY6CeQwAAOAAAAAAACEAAAAAAAAAQgAAAAAAAAAA== > 4-[[4-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]quinazolin-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide > 4-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-quinazolinyl]methyl]-N-(2-methoxyphenyl)-1-piperazinecarboxamide > 4-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]quinazolin-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide > 4-[[4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]quinazolin-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide > 4-[[4-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]quinazolin-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide > 4-[[4-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]quinazolin-2-yl]methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide > InChI=1S/C26H33N7O3/c1-17(2)23(24(27)34)31-25-18-8-4-5-9-19(18)28-22(30-25)16-32-12-14-33(15-13-32)26(35)29-20-10-6-7-11-21(20)36-3/h4-11,17,23H,12-16H2,1-3H3,(H2,27,34)(H,29,35)(H,28,30,31)/t23-/m0/s1 > LEOCJSCBTNAJPG-QHCPKHFHSA-N > 2.7 > 491.26448794 > C26H33N7O3 > 491.6 > CC(C)C(C(=O)N)NC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)NC4=CC=CC=C4OC > CC(C)[C@@H](C(=O)N)NC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(=O)NC4=CC=CC=C4OC > 126 > 491.26448794 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 21 8 21 22 8 21 26 8 22 28 8 26 29 8 27 31 8 27 32 8 28 30 8 29 30 8 31 33 8 32 34 8 33 35 8 34 35 8 18 6 5 7 16 8 7 20 8 8 16 8 8 22 8 $$$$