6102812 -OEChem-10051720403D 70 74 0 0 0 0 0 0 0999 V2000 2.7861 3.2552 -0.3343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3945 0.6207 -1.8756 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5543 2.1407 0.9479 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -5.2137 0.2308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2849 -3.4185 1.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -3.9411 0.2904 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 2.3067 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 2.0573 0.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 1.8281 1.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 2.5277 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4456 3.0096 -0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7457 2.8649 2.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6717 3.2335 -1.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2097 1.3518 1.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7017 3.4721 -1.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 2.2782 -0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -2.8126 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3271 1.5753 0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4575 3.3544 -1.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7521 -2.2824 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 2.9162 -1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 1.1130 1.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0174 1.4850 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 2.3601 4.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8172 -0.5195 -1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3499 -1.1099 -0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 -3.1316 1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0823 -4.1422 1.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1058 -2.2264 -1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1516 -4.8019 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7157 -1.0643 -2.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7589 1.3269 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3355 0.1060 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 -4.3732 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4763 -0.8138 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7022 -0.0487 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0146 -1.9537 -1.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2403 -1.1887 -0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3963 -2.1411 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 0.8583 2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6786 1.6064 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 3.7959 2.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 3.1154 3.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 3.6101 -2.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6911 0.9799 2.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1398 4.0512 -2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2924 2.6359 -1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 2.7285 -2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4335 4.3992 -1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4067 3.0126 -2.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4156 3.5749 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 0.5679 2.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 1.4265 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0761 1.2130 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 3.1183 4.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 2.1345 3.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 1.4518 4.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2273 -0.7219 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8032 -3.0164 2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9385 -4.9814 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -2.6439 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0391 -4.8030 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4014 -5.8159 0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -0.5856 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3976 -0.7033 -0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3787 0.6782 0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3578 -2.6958 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3163 -1.3351 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8154 -3.0288 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -4.9596 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 32 2 0 0 0 0 4 34 1 0 0 0 0 4 70 1 0 0 0 0 5 34 2 0 0 0 0 6 17 1 0 0 0 0 6 28 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 12 24 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 2 0 0 0 0 13 44 1 0 0 0 0 14 22 2 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 2 0 0 0 0 16 47 1 0 0 0 0 17 20 2 0 0 0 0 17 29 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 2 0 0 0 0 25 31 1 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 31 2 0 0 0 0 29 61 1 0 0 0 0 30 34 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 35 37 1 0 0 0 0 35 65 1 0 0 0 0 36 38 2 0 0 0 0 36 66 1 0 0 0 0 37 39 2 0 0 0 0 37 67 1 0 0 0 0 38 39 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 M END > DB04689 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZXWVCCFKIRBLDP-UHFFFAOYSA-N/SDF?record_type=3d > CCCC1=C(OCCCOC2=CC3=C(C=C2)N(CC(O)=O)C=C3)C=CC2=C1C=CC(=C2)C(=O)C1=CC=CC=C1 > InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36) > ZXWVCCFKIRBLDP-UHFFFAOYSA-N > C33H31NO5 > 521.6029 > 521.220223107 > 5 > 70 > -0.9990966024928112 > 59.341466111191586 > 0 > 1 > 0 > 0 > 2-(5-{3-[(6-benzoyl-1-propylnaphthalen-2-yl)oxy]propoxy}-1H-indol-1-yl)acetic acid > 6.67 > 7.171393776666665 > -7.05 > 1 > -1 > 5 > -1 > 3.9562714062148614 > -4.543296685687977 > 77.76 > 151.27549999999994 > 12 > 0 > 4.69e-05 g/l > tetrahydrofolic acid > 0 $$$$