123723 -OEChem-12152015033D 50 53 0 1 0 0 0 0 0999 V2000 -5.3896 -2.8360 0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5714 -2.2550 -1.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 0.2060 0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9983 -0.6025 -0.4235 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2179 0.4928 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7296 0.2875 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 1.8264 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2945 1.6786 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2193 2.6692 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4563 -0.6400 0.3960 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9488 -0.4118 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -1.9691 -0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3169 -0.3454 1.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2692 -0.2786 -0.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 -0.1358 1.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 -0.0690 -0.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 0.0024 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.3388 -0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 0.5235 -0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9304 0.7846 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7546 1.7976 -0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3207 -0.4762 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1177 1.9244 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3139 0.8793 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1286 -1.6082 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0979 -0.2693 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5041 -1.5143 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8995 0.6179 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0739 -0.0636 0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0648 -0.4338 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1784 1.7007 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1005 2.3050 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2391 1.8341 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4942 1.8092 -1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8869 3.2687 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5952 3.3618 0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8114 -0.7165 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8616 -0.4509 2.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 -0.3266 -1.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4252 -0.0810 2.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4023 0.0312 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6051 -3.6903 0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4076 1.2032 -1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 -0.5724 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1213 2.6761 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5429 2.9176 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 1.8492 0.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 -2.5953 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1665 -0.1923 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1083 -2.4158 0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 42 1 0 0 0 0 2 12 2 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 19 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 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 2 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 14 16 2 0 0 0 0 14 39 1 0 0 0 0 15 17 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 M END > DB16346 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZEYYDOLCHFETHQ-JOCHJYFZSA-N/SDF?record_type=3d > OC(=O)[C@H](C1CCCC1)C1=CC=C(OCC2=NC3=C(C=CC=C3)C=C2)C=C1 > InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1 > ZEYYDOLCHFETHQ-JOCHJYFZSA-N > C23H23NO3 > 361.441 > 361.167793605 > 4 > 50 > -0.9988972084306391 > 40.71377570475193 > 1 > 1 > 0 > 1 > (2R)-2-cyclopentyl-2-{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid > 5.05 > 4.734817173066308 > -5.58 > 1 > -1 > 4 > -1 > 4.094021165011793 > 3.0716422880321743 > 59.42 > 102.96440000000003 > 6 > 1 > 9.43e-04 g/l > revaprazan > 0 $$$$