70510252 -OEChem-04242407402D 67 68 0 1 0 0 0 0 0999 V2000 5.1227 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 8.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 6.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 4.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 10.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6227 13.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6104 7.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8783 6.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1463 6.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0123 4.6586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1463 3.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3424 7.1586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8424 6.2926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3424 7.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 7.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8424 5.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7443 7.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6104 6.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7084 4.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9764 4.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8783 7.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7443 5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7084 3.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9764 3.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8424 3.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0123 5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2802 5.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1463 4.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2802 4.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 6.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 4.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 5.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 4.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 7.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 3.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 6.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4413 6.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 6.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4501 7.7692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1429 8.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 8.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8224 5.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2210 6.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2454 5.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4395 5.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 7.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 7.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 5.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1429 5.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2454 3.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4395 3.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8424 2.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 6.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 3.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6832 2.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 2.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 7.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 7.8027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 2.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 3.1368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1596 10.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0858 10.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1596 13.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0858 13.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1227 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 67 1 0 0 0 0 2 15 2 0 0 0 0 3 32 1 0 0 0 0 3 34 1 0 0 0 0 4 33 1 0 0 0 0 4 35 1 0 0 0 0 5 63 1 0 0 0 0 5 64 1 0 0 0 0 6 65 1 0 0 0 0 6 66 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 26 1 0 0 0 0 9 26 2 0 0 0 0 9 27 1 0 0 0 0 10 26 1 0 0 0 0 10 28 2 0 0 0 0 11 28 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 6 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 1 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 25 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 29 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 32 33 2 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 M END > 70510252 > 1 > 652 > 9 > 4 > 5 > AAADcfB7uAAEAAAAAAAAAAAAGAAAAAAAAAA8eIEAAAAAAACx9AAAHgAQCAAADQzBngYz9vdIFACoAydydACCiCkhIqAJmCE+7JiNbrLE+duUNCpuxhvK6Ce42NOOoEABAgACQABAgAIEAASAAAAAAAAAAA== > [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone;dihydrate;hydrochloride > [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-[(1R,2R)-2-phenylcyclopropyl]methanone;dihydrate;hydrochloride > [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone;dihydrate;hydrochloride > [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone;dihydrate;hydrochloride > [4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone;dihydrate;hydrochloride > [4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-[(1R,2R)-2-phenylcyclopropyl]methanone;dihydrate;hydrochloride > InChI=1S/C24H27N5O3.ClH.2H2O/c1-31-20-13-18-19(14-21(20)32-2)26-24(27-22(18)25)29-10-8-28(9-11-29)23(30)17-12-16(17)15-6-4-3-5-7-15;;;/h3-7,13-14,16-17H,8-12H2,1-2H3,(H2,25,26,27);1H;2*1H2/t16-,17+;;;/m0.../s1 > OHBZIEQLMCHETI-GFHNOKBBSA-N > 505.2091968 > C24H32ClN5O5 > 506.0 > COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CC4C5=CC=CC=C5)N)OC.O.O.Cl > COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)[C@@H]4C[C@H]4C5=CC=CC=C5)N)OC.O.O.Cl > 95.8 > 505.2091968 > 0 > 35 > 2 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 10 26 8 10 28 8 12 15 6 13 16 5 16 19 8 16 20 8 19 23 8 20 24 8 23 25 8 24 25 8 27 29 8 27 30 8 28 29 8 29 31 8 30 32 8 31 33 8 32 33 8 9 26 8 9 27 8 $$$$