9942725 -OEChem-10051720493D 30 30 0 1 0 0 0 0 0999 V2000 -4.1506 -1.4282 -0.4113 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 0.2140 1.2437 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 1.7874 -2.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -2.5874 0.4469 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8747 0.4522 -0.0761 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 -1.9825 -1.4479 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3538 0.8804 0.4813 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0551 0.2916 1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8813 1.9234 -0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 -0.2245 -0.0874 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4553 1.3960 -1.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9753 0.0693 1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2144 -0.1731 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9164 -1.7134 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 1.5531 1.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4638 -0.4582 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9094 1.3688 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3049 0.8728 1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1419 -0.7602 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 2.8926 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5664 2.0474 -1.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 0.1317 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 -0.4243 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -0.3726 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7912 -0.7429 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6939 2.0278 0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 2.0867 1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8519 1.6812 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -1.2479 -2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9768 -2.9365 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 11 2 0 0 0 0 4 14 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M END > DB05885 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ANWPENAPCIFDSZ-RQJHMYQMSA-N/SDF?record_type=3d > CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O > InChI=1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1 > ANWPENAPCIFDSZ-RQJHMYQMSA-N > C10H14F2N2O2 > 232.2272 > 232.102334112 > 2 > 30 > 2.3238191871070924e-09 > 21.100561369838935 > 1 > 1 > 0 > 1 > (2S)-2-[(4S)-4-(2,2-difluoroethenyl)-2-oxopyrrolidin-1-yl]butanamide > 0.51 > 0.09109749533333311 > -2.36 > 0 > 0 > 1 > 0 > 15.362718195065408 > -1.1758745328893783 > 63.400000000000006 > 64.32560000000001 > 4 > 1 > 1.02e+00 g/l > biotin > 0 $$$$