13505 -OEChem-10051719293D 66 69 0 0 0 0 0 0 0999 V2000 5.1064 1.6417 0.9234 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8454 2.4900 -1.2093 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4891 0.5672 -0.9424 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8944 -0.0848 -3.1695 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 0.6946 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 0.8425 -1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3428 1.1153 0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 0.0860 -1.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0045 0.3892 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 -0.1106 -1.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -0.6899 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 1.7204 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 0.7398 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3638 0.1239 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6262 -1.4981 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 -1.1389 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3728 -1.2296 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 1.0467 0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1991 -2.7553 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6294 -2.3962 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6627 -0.0025 -2.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2007 -3.2043 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1762 2.5613 1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6433 -2.4100 -0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1075 2.2456 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 -1.2688 1.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 0.6769 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7025 2.3491 2.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6512 -3.6296 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 3.0746 1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1178 -2.4884 2.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 1.5060 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3884 -3.6687 1.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4372 2.7047 1.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4515 0.5041 -2.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5764 1.9025 -2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 2.1956 0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 0.9851 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0563 0.2618 -2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6175 -0.9942 -1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3155 0.8197 1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0789 -0.6754 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7661 -1.1219 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 -0.2255 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 0.9284 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 1.7181 -0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 -1.1906 1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4123 -0.5239 -1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 -3.3811 1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 -2.7450 -1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6488 -4.1820 0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8063 3.5872 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9777 2.3867 0.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8532 -2.4344 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 2.5843 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9005 -0.3629 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1044 -0.2535 -0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0588 1.3214 2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 2.5021 3.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5238 3.0373 2.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8617 -4.5491 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8198 4.0079 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -2.5191 3.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8371 1.2179 0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3946 -4.6182 2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 3.3501 1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 23 1 0 0 0 0 2 12 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 21 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 47 1 0 0 0 0 16 20 2 0 0 0 0 16 48 1 0 0 0 0 17 24 2 0 0 0 0 17 26 1 0 0 0 0 18 25 2 0 0 0 0 18 27 1 0 0 0 0 19 22 2 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 22 51 1 0 0 0 0 23 28 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 29 1 0 0 0 0 24 54 1 0 0 0 0 25 30 1 0 0 0 0 25 55 1 0 0 0 0 26 31 2 0 0 0 0 26 56 1 0 0 0 0 27 32 2 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 33 2 0 0 0 0 29 61 1 0 0 0 0 30 34 2 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 34 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > DB01081 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HYPPXZBJBPSRLK-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1 > InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3 > HYPPXZBJBPSRLK-UHFFFAOYSA-N > C30H32N2O2 > 452.5873 > 452.246378278 > 3 > 66 > 0.9690432388530652 > 51.57712363209488 > 1 > 0 > 0 > 0 > ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate > 5.74 > 5.884015037999999 > -5.49 > 1 > 1 > 4 > 1 > 8.49558763946689 > 53.33 > 146.76189999999997 > 9 > 0 > 1.46e-03 g/l > tetrahydrofolic acid > 0 $$$$