129226407 -OEChem-09062313573D 69 72 0 1 0 0 0 0 0999 V2000 1.1517 4.7502 -0.7994 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 2.6274 -0.9979 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 1.3066 1.1967 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 2.2200 -0.7231 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 2.6183 0.2689 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1596 0.0806 -2.1538 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4091 -4.3059 -0.9311 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 -2.6820 -2.4432 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2416 -1.2488 0.3691 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 1.9834 0.5898 N 0 0 2 0 0 0 0 0 0 0 0 0 0.1012 -1.2194 0.4173 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7767 -0.8627 -0.1276 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0036 -1.8245 1.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6561 -3.3010 1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7637 -1.0964 2.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7143 -3.4494 3.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -2.1326 3.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 3.2382 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 2.0288 1.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 1.6917 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 3.5453 -0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 2.2741 1.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 3.5523 1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 0.1947 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7631 -0.7331 -0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2048 -0.7016 -0.2966 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4344 -0.6625 -0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6868 -0.3387 -1.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1766 -0.6568 -1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 -2.0717 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8659 -0.4509 -1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9242 0.4626 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7943 -1.7269 -1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 -3.0133 -1.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2895 0.5118 -0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2973 1.6286 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1597 -1.6779 -1.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9074 -0.5585 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -1.7416 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 -3.5537 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 -3.9755 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7283 -0.7720 3.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1319 -0.2073 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1431 -4.3118 3.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 -3.5635 3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3805 -1.9420 4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -2.1286 3.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2004 3.1525 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3561 4.0780 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0029 2.8137 2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6857 1.0783 2.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 2.2696 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9787 1.9836 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 2.3417 2.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 1.4258 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4134 3.6423 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0087 4.4268 1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 -0.1463 1.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8753 0.0776 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -0.2301 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 0.1184 -2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -1.2872 0.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9764 -1.9636 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 -2.5427 0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -2.6081 -2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8936 1.3720 -0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6408 -2.5113 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9705 -0.5206 -1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0579 -4.9217 -1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 3 36 1 0 0 0 0 4 36 1 0 0 0 0 5 36 1 0 0 0 0 6 31 2 0 0 0 0 7 34 1 0 0 0 0 7 69 1 0 0 0 0 8 34 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 27 2 0 0 0 0 12 26 1 0 0 0 0 12 31 1 0 0 0 0 12 62 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 24 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 61 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 30 34 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 33 65 1 0 0 0 0 35 38 1 0 0 0 0 35 66 1 0 0 0 0 37 38 2 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 M END > DB18003 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HSTYVOXQTWCRDM-KRWDZBQOSA-N/SDF?record_type=3d > OC(=O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)C1=NN(C2CCCC2)C(=C1)C1=CC=CC=C1C(F)(F)F > InChI=1S/C26H31F5N4O3/c27-25(28)11-5-12-34(16-25)13-10-17(14-23(36)37)32-24(38)21-15-22(35(33-21)18-6-1-2-7-18)19-8-3-4-9-20(19)26(29,30)31/h3-4,8-9,15,17-18H,1-2,5-7,10-14,16H2,(H,32,38)(H,36,37)/t17-/m0/s1 > HSTYVOXQTWCRDM-KRWDZBQOSA-N > C26H31F5N4O3 > 542.551 > 542.231631689 > 5 > 69 > 2.0948442825467146 > 52.59431616008337 > 1 > 2 > 0 > 0 > (3S)-3-({1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}formamido)-5-(3,3-difluoropiperidin-1-yl)pentanoic acid > 1.9100293934260062 > 1 > -1 > 4 > -1 > 14.317856835474943 > 3.2875573590140172 > 6.161013412607742 > 87.46 > 141.62320000000003 > 10 > 0 > (3S)-3-({1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazol-3-yl}formamido)-5-(3,3-difluoropiperidin-1-yl)pentanoic acid > 0 $$$$