54641686 -OEChem-05132413262D 62 65 0 1 0 0 0 0 0999 V2000 2.6130 -7.3874 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -3.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -4.1514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -0.1125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 -3.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -4.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 -4.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -5.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 -4.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 -6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 -5.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2008 -6.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 -3.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3997 -5.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 -4.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 7.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4474 -7.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 -5.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 7.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 7.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 17 1 0 0 0 0 3 49 1 0 0 0 0 4 19 2 0 0 0 0 5 30 1 0 0 0 0 5 34 1 0 0 0 0 11 6 1 1 0 0 0 6 19 1 0 0 0 0 6 46 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 8 51 1 0 0 0 0 9 10 2 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 6 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 17 1 6 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 52 1 0 0 0 0 25 29 2 0 0 0 0 25 53 1 0 0 0 0 26 31 1 0 0 0 0 26 54 1 0 0 0 0 27 32 2 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 31 33 2 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > 54641686 > 1 > 631 > 7 > 3 > 8 > AAADceB7uQAAAAAAAAAAAAAAAAAAAWAAAAA0YIAAAAAAAAAB0AAAHwAYCAAADDzhng4/xpLIBgCqAzRnVACCDAQxsgAY2KA+fJiPdqLEsZuXcChu1hPb6CewwKAOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA== > 1-[(2R,3R,6S)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)tetrahydropyran-3-yl]-3-(4-methoxyphenyl)urea > 1-[(2R,3R,6S)-6-[2-[4-(4-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea > 1-[(2R,3R,6S)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(4-methoxyphenyl)urea > 1-[(2R,3R,6S)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(4-methoxyphenyl)urea > 1-[(2R,3R,6S)-6-[2-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(4-methoxyphenyl)urea > 1-[(2R,3R,6S)-6-[2-[4-(4-fluorophenyl)triazol-1-yl]ethyl]-2-methylol-tetrahydropyran-3-yl]-3-(4-methoxyphenyl)urea > InChI=1S/C24H28FN5O4/c1-33-19-8-6-18(7-9-19)26-24(32)27-21-11-10-20(34-23(21)15-31)12-13-30-14-22(28-29-30)16-2-4-17(25)5-3-16/h2-9,14,20-21,23,31H,10-13,15H2,1H3,(H2,26,27,32)/t20-,21+,23-/m0/s1 > VXZHVQNSNQLLRT-XJUOHMSHSA-N > 2.8 > 469.21253255 > C24H28FN5O4 > 469.5 > COC1=CC=C(C=C1)NC(=O)NC2CCC(OC2CO)CCN3C=C(N=N3)C4=CC=C(C=C4)F > COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@H](O[C@H]2CO)CCN3C=C(N=N3)C4=CC=C(C=C4)F > 111 > 469.21253255 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 21 8 12 16 6 14 17 6 20 21 8 22 24 8 22 25 8 23 26 8 23 27 8 24 28 8 25 29 8 26 31 8 27 32 8 28 30 8 29 30 8 31 33 8 32 33 8 11 6 5 7 20 8 7 9 8 9 10 8 $$$$