23586165 -OEChem-10051721173D 52 54 0 1 0 0 0 0 0999 V2000 2.5401 -1.6229 -1.9006 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4699 2.0538 0.8946 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0951 -1.2669 -0.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 -0.5970 -0.3079 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4001 -0.7915 -0.7295 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -2.2973 -1.7774 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0734 -3.0401 4.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0128 0.4679 0.7180 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4402 0.9613 0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4564 -0.1772 2.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 1.6077 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 0.0537 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5288 -1.3227 2.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9218 -1.3804 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9887 2.0253 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6462 2.2180 -0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9549 -1.9342 3.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6188 0.1365 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 3.0621 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 3.2550 -1.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 -0.7189 -1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 1.0734 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 3.6770 -0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 -3.2133 -2.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7499 1.1545 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6296 -0.6377 -1.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 0.2989 -0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8221 -3.0449 -1.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5769 1.9988 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 0.8899 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 -0.5677 1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4503 0.5699 2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5518 -2.1150 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5131 -1.0053 2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2354 1.5831 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8119 1.9048 -1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 -1.1812 4.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9842 -2.3040 3.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6477 3.3916 1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 3.7335 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 -2.3239 -2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 1.7567 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 4.4843 -1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8895 -2.7090 4.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 -3.7425 3.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0325 -4.2281 -2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -3.0232 -3.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 -1.3039 -2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4531 0.3623 -0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4424 -3.7651 -2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2411 -2.0636 -2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9609 -3.2977 -0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 25 1 0 0 0 0 3 14 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 5 12 2 0 0 0 0 6 14 1 0 0 0 0 6 24 1 0 0 0 0 6 41 1 0 0 0 0 7 17 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 23 1 0 0 0 0 20 40 1 0 0 0 0 21 26 1 0 0 0 0 22 25 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 28 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END > DB08250 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OQMVLDZJPRSNOG-NRFANRHFSA-N/SDF?record_type=3d > CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1 > InChI=1S/C21H24F2N4O/c1-2-25-20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(26-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,2,6,11-12,14,24H2,1H3,(H,25,28)/t21-/m0/s1 > OQMVLDZJPRSNOG-NRFANRHFSA-N > C21H24F2N4O > 386.4383 > 386.19181782 > 3 > 52 > 0.998751264073949 > 40.36591323789768 > 1 > 2 > 0 > 1 > (5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N-ethyl-5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide > 2.58 > 3.1368131656666662 > -4.59 > 1 > 1 > 3 > 1 > 14.157926318027918 > 9.902997590640389 > 70.72 > 104.8078 > 6 > 1 > 9.96e-03 g/l > tetrahydrofolic acid > 0 $$$$