24832041 -OEChem-10051720573D 44 46 0 1 0 0 0 0 0999 V2000 -3.4527 -0.2456 -2.4525 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 2.8162 1.9161 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5735 0.6132 2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7081 -3.4595 1.2154 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0752 1.1621 0.6361 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6451 -1.9949 1.0160 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7732 -1.5974 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2827 -1.5435 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9201 -0.1003 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7376 -1.9692 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 -0.6948 1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 -0.6972 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5364 -1.5460 -0.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 -0.2717 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 -0.2575 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7486 0.4984 -1.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 0.6825 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 0.0263 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 -0.1177 -1.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3645 2.0641 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 1.8801 -1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 0.4497 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 2.6628 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1751 0.3059 -2.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 0.5897 -1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8197 0.7444 1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -1.5602 1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7380 -1.9862 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6062 -2.0671 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -2.6387 -1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -0.3476 2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 -3.7240 1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6427 -3.7195 1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9319 -1.9282 -1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 0.4149 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3767 0.2329 1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -0.1079 1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 -0.2973 -2.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7512 2.3460 -2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 3.7384 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4178 0.4213 -3.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1001 0.9146 -1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 1.3673 1.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3613 1.2904 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 20 1 0 0 0 0 3 26 2 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 26 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 17 36 1 0 0 0 0 18 22 1 0 0 0 0 18 37 1 0 0 0 0 19 24 2 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END > DB07181 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JYKFWUXBFJJDTP-HXUWFJFHSA-N/SDF?record_type=3d > [H][C@@](N)(CC1=CC(F)=CC=C1F)C1=CC=C(C=C1)C1=CC=CC(=C1)C(N)=O > InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1 > JYKFWUXBFJJDTP-HXUWFJFHSA-N > C21H18F2N2O > 352.3772 > 352.138719618 > 2 > 44 > 0.9949601350702104 > 35.67101088274051 > 1 > 2 > 0 > 1 > 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]-[1,1'-biphenyl]-3-carboxamide > 3.42 > 3.9551851733333327 > -5.48 > 0 > 1 > 3 > 1 > 14.640048973835253 > 9.295385292740429 > 69.11 > 98.21659999999999 > 5 > 1 > 1.17e-03 g/l > biotin > 0 $$$$