51042438 -OEChem-10051722383D 44 46 0 1 0 0 0 0 0999 V2000 -2.8485 0.8389 -2.6941 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.4660 2.0945 -0.6177 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9581 -2.9562 -1.7509 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2782 -4.2470 0.2660 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8239 1.1477 -0.9279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.1296 2.0872 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6695 1.7923 -0.0439 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5729 4.0965 0.3734 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4284 -1.3854 0.6642 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 -1.5647 0.7243 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 2.1491 0.2883 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0329 1.2887 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2257 3.6516 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8308 -0.1943 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7814 1.3068 0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5723 0.9622 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9705 -0.9048 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5045 -0.8529 0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6838 0.3361 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6847 0.4647 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0582 -0.1525 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1111 0.7644 -1.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -2.2739 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -2.2218 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2281 0.5216 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -2.9325 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 -2.4626 1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2421 -0.3964 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 1.9578 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 1.5098 -1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0652 1.5431 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0305 3.8846 -1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5005 4.2236 0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3637 1.9014 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4408 -0.4058 -1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1754 -0.3095 1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 0.2259 2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 5.1064 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 3.9137 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8416 -2.7348 1.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1682 -2.2360 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 -3.3987 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -2.5486 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3141 -0.2673 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 25 1 0 0 0 0 3 23 1 0 0 0 0 4 26 1 0 0 0 0 5 16 1 0 0 0 0 5 22 1 0 0 0 0 6 15 2 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 34 1 0 0 0 0 8 13 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 27 1 0 0 0 0 10 28 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 20 2 0 0 0 0 17 23 1 0 0 0 0 17 35 1 0 0 0 0 18 24 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 37 1 0 0 0 0 21 25 2 0 0 0 0 23 26 2 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END > DB11969 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AXTAPYRUEKNRBA-JTQLQIEISA-N/SDF?record_type=3d > CN1N=CC(Cl)=C1C1=C(Cl)OC(=C1)C(=O)N[C@H](CN)CC1=CC=C(F)C(F)=C1 > InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1 > AXTAPYRUEKNRBA-JTQLQIEISA-N > C18H16Cl2F2N4O2 > 429.25 > 428.0618375 > 3 > 44 > 39.38428374269353 > 1 > 2 > 0 > 1 > N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide > 3.26 > 2.5873168280000005 > -4.09 > 0 > 3 > 1 > 14.039191670409696 > 9.024120380860888 > 86.08 > 113.37219999999998 > 5 > 1 > 3.51e-02 g/l > N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)furan-2-carboxamide > 0 $$$$