68582200 -OEChem-05102408002D 67 68 0 1 0 0 0 0 0999 V2000 7.8874 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.8756 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 7.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5455 9.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1436 12.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9474 6.6341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9474 4.6341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8135 8.1341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 3.1341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8135 3.1341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9474 9.6341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6795 10.6341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8135 6.1341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8135 5.1341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6795 6.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6795 4.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5455 6.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5455 5.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9474 7.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9474 3.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 8.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 9.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 7.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8135 9.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 9.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 8.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2814 9.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6795 9.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5455 11.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5494 8.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5455 12.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4116 10.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4116 12.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2776 11.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2776 12.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1436 13.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2765 5.8241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8135 4.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0780 7.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 7.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 4.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0780 4.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1561 6.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7576 6.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7576 4.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1561 5.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4105 6.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1946 6.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 2.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5445 3.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8135 2.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3504 3.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1946 10.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7457 9.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1426 10.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8573 8.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0112 8.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 7.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0086 12.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4116 10.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4116 13.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8145 10.8241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7636 13.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1436 14.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5236 13.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8874 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 6.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 66 1 0 0 0 0 2 67 1 0 0 0 0 3 26 1 0 0 0 0 3 30 1 0 0 0 0 4 28 2 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 13 6 1 1 0 0 0 6 19 1 0 0 0 0 6 47 1 0 0 0 0 14 7 1 1 0 0 0 7 20 2 0 0 0 0 8 19 2 0 0 0 0 8 24 1 0 0 0 0 9 20 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 20 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 22 1 0 0 0 0 11 24 2 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 54 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 35 2 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 M END > 68582200 > 1 > 696 > 7 > 6 > 7 > AAADceB7sAAGAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAQAAAADCzBnwYz9vbIFACoAydydACCiCkjIqAJmKC+bJiMbqLE+fuUNChs1BPI6CewwBAOAEABAAACAAAAgAIAAAQAQAAAAAAAAA== > 4-[[(1S,2R)-2-guanidinocyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide;dihydrochloride > 4-[[(1S,2R)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)-2-quinazolinecarboxamide;dihydrochloride > 4-[[(1S,2R)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide;dihydrochloride > 4-[[(1S,2R)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide;dihydrochloride > 4-[[(1S,2R)-2-[bis(azanyl)methylideneamino]cyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide;dihydrochloride > 4-[[(1S,2R)-2-guanidinocyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide;dihydrochloride > InChI=1S/C24H29N7O3.2ClH/c1-33-15-9-7-14(8-10-15)27-23(32)22-28-18-12-11-16(34-2)13-17(18)21(31-22)29-19-5-3-4-6-20(19)30-24(25)26;;/h7-13,19-20H,3-6H2,1-2H3,(H,27,32)(H4,25,26,30)(H,28,29,31);2*1H/t19-,20+;;/m0../s1 > UBJOLUQININHIM-HUQPAIQZSA-N > 535.1865433 > C24H31Cl2N7O3 > 536.5 > COC1=CC=C(C=C1)NC(=O)C2=NC3=C(C=C(C=C3)OC)C(=N2)NC4CCCCC4N=C(N)N.Cl.Cl > COC1=CC=C(C=C1)NC(=O)C2=NC3=C(C=C(C=C3)OC)C(=N2)N[C@H]4CCCC[C@H]4N=C(N)N.Cl.Cl > 150 > 535.1865433 > 0 > 36 > 2 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 11 22 8 11 24 8 19 21 8 21 22 8 21 23 8 22 25 8 23 26 8 25 27 8 26 27 8 29 31 8 29 32 8 31 33 8 32 34 8 33 35 8 34 35 8 13 6 5 14 7 5 8 19 8 8 24 8 $$$$