51685138 -OEChem-05092409562D 72 76 0 1 0 0 0 0 0999 V2000 6.3301 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 0.5933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 1.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0327 1.9945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0109 2.2024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3030 -1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9121 -0.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1690 -1.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9120 -0.3104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0951 0.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3765 0.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7134 -0.9364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0509 -1.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2766 -1.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4491 -0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8045 -2.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6297 -2.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 34 1 0 0 0 0 2 28 1 0 0 0 0 2 35 1 0 0 0 0 3 29 1 0 0 0 0 3 36 1 0 0 0 0 15 4 1 1 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 15 46 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 23 57 1 0 0 0 0 24 27 2 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 33 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 M END > 51685138 > 1 > 659 > 8 > 0 > 9 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAeIAAAA8YIAAAAAAAAAB0AAAHgAIAAAADCzBmwYzFocIBACiAiJiJACCCAMgoIAdyAA+jIiNZiKEuRuUMCpmwBOKqAew0LMOIAABAAAIQABAAAIAABCAAAAAAAAAAA== > 1-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine > 1-[(R)-(1-cyclopentyl-5-tetrazolyl)-(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine > 1-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine > 1-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine > 1-[(R)-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine > 1-[(R)-(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-o-anisyl-piperazine > InChI=1S/C27H36N6O3/c1-34-23-11-7-4-8-21(23)19-31-14-16-32(17-15-31)26(20-12-13-24(35-2)25(18-20)36-3)27-28-29-30-33(27)22-9-5-6-10-22/h4,7-8,11-13,18,22,26H,5-6,9-10,14-17,19H2,1-3H3/t26-/m1/s1 > BIKKCHFXXIKVBX-AREMUKBSSA-N > 3.5 > 492.28488903 > C27H36N6O3 > 492.6 > COC1=C(C=C(C=C1)C(C2=NN=NN2C3CCCC3)N4CCN(CC4)CC5=CC=CC=C5OC)OC > COC1=C(C=C(C=C1)[C@H](C2=NN=NN2C3CCCC3)N4CCN(CC4)CC5=CC=CC=C5OC)OC > 77.8 > 492.28488903 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 21 23 8 21 24 8 23 26 8 24 27 8 25 29 8 25 30 8 26 28 8 27 28 8 29 31 8 30 32 8 31 33 8 32 33 8 15 4 5 5 16 8 5 7 8 7 9 8 8 16 8 8 9 8 $$$$