68582201 -OEChem-04232412242D 63 66 0 1 0 0 0 0 0999 V2000 2.8680 -0.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -4.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2641 -2.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1301 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 -3.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 -3.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 1.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.5706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.5056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 5.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2142 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 6.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9742 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 28 1 0 0 0 0 2 26 2 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 11 4 1 1 0 0 0 4 17 1 0 0 0 0 4 45 1 0 0 0 0 12 5 1 1 0 0 0 5 18 2 0 0 0 0 6 17 2 0 0 0 0 6 22 1 0 0 0 0 7 18 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 18 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 20 1 0 0 0 0 9 22 2 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 46 1 0 0 0 0 22 26 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 25 52 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 M END > 68582201 > 1 > 696 > 7 > 4 > 7 > AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAQAAAADCzBnwYz9vbIFACoAydydACCiCkjIqAJmKC+bJiMbqLE+fuUNChs1BPI6CewwBAOAEABAAACAAAAgAIAAAQAQAAAAAAAAA== > 4-[[(1S,2R)-2-guanidinocyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide > 4-[[(1S,2R)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)-2-quinazolinecarboxamide > 4-[[(1S,2R)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide > 4-[[(1S,2R)-2-(diaminomethylideneamino)cyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide > 4-[[(1S,2R)-2-[bis(azanyl)methylideneamino]cyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide > 4-[[(1S,2R)-2-guanidinocyclohexyl]amino]-6-methoxy-N-(4-methoxyphenyl)quinazoline-2-carboxamide > InChI=1S/C24H29N7O3/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)/t19-,20+/m0/s1 > IOCSBPDRZLSLPM-VQTJNVASSA-N > 2.7 > 463.23318781 > C24H29N7O3 > 463.5 > COC1=CC=C(C=C1)NC(=O)C2=NC3=C(C=C(C=C3)OC)C(=N2)NC4CCCCC4N=C(N)N > 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 > 150 > 463.23318781 > 0 > 34 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 19 8 19 20 8 19 21 8 20 23 8 21 24 8 23 25 8 24 25 8 27 29 8 27 30 8 29 31 8 30 32 8 31 33 8 32 33 8 11 4 5 12 5 5 6 17 8 6 22 8 9 20 8 9 22 8 $$$$