3179837 -OEChem-04252412342D 63 67 0 1 0 0 0 0 0999 V2000 3.3296 -4.3874 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 3.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 1.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 3.3874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.8874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 -0.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9898 -0.2003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 -1.1514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.3874 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1808 4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 1.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0407 2.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 -2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0984 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9119 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 2.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 3.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 3.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 1.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 1.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 3.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 1.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 4.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8008 4.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 5.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 4.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 3.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 3.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 1.9701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 1.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 4.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 1.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5016 1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5016 2.8022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1163 -2.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 -1.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 -4.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 -2.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 17 2 0 0 0 0 3 21 2 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 27 1 0 0 0 0 5 29 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 46 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 30 2 0 0 0 0 10 11 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 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 53 1 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 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 36 2 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 M END > 3179837 > 1 > 763 > 8 > 1 > 8 > AAADceB7uQAAAAAAAAAAAAAAAAAAAeJEAAAwYAAAAAAAAEgB0AAAHwAYAAAADCzBmw8zHofABACqAiNyMACSCAIgoAAciKGujJgdZqKEsTu0MCpk3hGOqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-propanamide > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide > 2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(4-fluorophenyl)-1,2,3,4-tetrazol-2-yl]ethanoyl]amino]-N-cyclopentyl-propanamide > N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-piperonyl-amino]propionamide > InChI=1S/C25H27FN6O4/c1-16(25(34)27-20-4-2-3-5-20)31(13-17-6-11-21-22(12-17)36-15-35-21)23(33)14-32-29-24(28-30-32)18-7-9-19(26)10-8-18/h6-12,16,20H,2-5,13-15H2,1H3,(H,27,34) > KGCNUERNYYWTLQ-UHFFFAOYSA-N > 3.8 > 494.20778153 > C25H27FN6O4 > 494.5 > CC(C(=O)NC1CCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)F > CC(C(=O)NC1CCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)F > 112 > 494.20778153 > 0 > 36 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 11 30 8 18 19 3 22 24 8 22 25 8 24 26 8 25 28 8 26 27 8 27 28 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 8 10 8 8 9 8 9 30 8 $$$$