60187945 -OEChem-06191308132D 62 65 0 1 0 0 0 0 0999 V2000 9.4651 7.3442 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 -6.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.3442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -2.2436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -3.1946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.8442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 2.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 -2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -3.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -4.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -4.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9187 -3.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 7.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 -5.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -4.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 -5.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 -7.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 2.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 2.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -0.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 3.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 3.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -2.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.7242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -4.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 -3.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 7.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9844 -6.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7143 -4.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9902 -7.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8088 -7.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 -7.0920 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 32 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 1 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 1 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 30 1 0 0 0 0 26 54 1 0 0 0 0 27 31 2 0 0 0 0 27 55 1 0 0 0 0 28 33 2 0 0 0 0 28 56 1 0 0 0 0 29 33 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 32 1 0 0 0 0 31 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 > 60187945 > 1 > 631 > 7 > 3 > 8 > AAADceB7uQAAAAAAAAAAAAAAAAAAAWAAAAA0YIAAAAAAAAAB0AAAHwAYCAAADDzhng4/xpLIBgCqAzRnVACCDAQxsgAY2KA+fJiPdqLEsZuXcChu1hPb6Cew0KEOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 1-(4-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethyl]tetrahydropyran-3-yl]urea > 1-(4-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]urea > 1-(4-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]urea > 1-(4-fluorophenyl)-3-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]ethyl]oxan-3-yl]urea > 1-(4-fluorophenyl)-3-[(2R,3S,6S)-6-[2-[4-(4-methoxyphenyl)triazol-1-yl]ethyl]-2-methylol-tetrahydropyran-3-yl]urea > InChI=1S/C24H28FN5O4/c1-33-19-8-2-16(3-9-19)22-14-30(29-28-22)13-12-20-10-11-21(23(15-31)34-20)27-24(32)26-18-6-4-17(25)5-7-18/h2-9,14,20-21,23,31H,10-13,15H2,1H3,(H2,26,27,32)/t20-,21-,23-/m0/s1 > KRKKQZQOOOXOMI-FUDKSRODSA-N > 2.8 > 469.212533 > C24H28FN5O4 > 469.508623 > COC1=CC=C(C=C1)C2=CN(N=N2)CCC3CCC(C(O3)CO)NC(=O)NC4=CC=C(C=C4)F > COC1=CC=C(C=C1)C2=CN(N=N2)CC[C@@H]3CC[C@@H]([C@@H](O3)CO)NC(=O)NC4=CC=C(C=C4)F > 111 > 469.212533 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 10 21 8 12 16 5 14 17 5 20 21 8 22 24 8 22 25 8 23 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 31 8 28 33 8 29 33 8 30 32 8 31 32 8 11 6 5 7 20 8 7 9 8 9 10 8 $$$$