51352361 -OEChem-10051722433D 45 47 0 1 0 0 0 0 0999 V2000 3.7431 -0.9360 -1.3924 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 2.9489 0.0750 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.1932 -2.1726 0.2396 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 -1.4539 -2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -0.2193 -2.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0122 2.3792 -0.6828 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9992 -2.2055 -0.4993 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8657 -1.0307 1.6179 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 -3.2855 1.5175 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6332 0.6689 0.1553 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 -0.8797 0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 0.2702 1.0339 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3040 0.0739 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0126 1.0819 0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8675 1.0515 2.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7412 -2.1128 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 0.5086 0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 2.3895 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -3.4020 -1.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 1.2426 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 3.1237 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1933 2.5502 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 1.2472 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0389 0.3665 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2904 0.8360 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3718 -0.0293 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8805 -1.6922 0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1714 -1.3193 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1798 -0.4376 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6517 1.0151 -0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3209 1.9988 1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 1.2698 2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 0.4591 2.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5749 -0.5036 0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7557 -3.2059 -2.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -4.2401 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 -3.6697 -1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 4.1415 -0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -4.1577 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -3.3162 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9954 3.1824 -0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6747 -0.2891 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4499 1.8417 -0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3690 0.3004 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6712 -2.6873 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 18 1 0 0 0 0 3 28 1 0 0 0 0 6 23 2 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 16 2 0 0 0 0 9 16 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 20 1 0 0 0 0 10 23 1 0 0 0 0 10 42 1 0 0 0 0 11 24 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 M END > DB12285 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YHYKUSGACIYRML-KRWDZBQOSA-N/SDF?record_type=3d > CN1C(N)=N[C@@](C)(CS1(=O)=O)C1=CC(NC(=O)C2=CC=C(F)C=N2)=CC=C1F > InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 > YHYKUSGACIYRML-KRWDZBQOSA-N > C17H17F2N5O3S > 409.41 > 409.102016927 > 6 > 45 > 38.38681560763743 > 1 > 2 > 0 > 1 > N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide > 1.83 > 1.2279412743333333 > -4.05 > 0 > 3 > 0 > 17.74435947279619 > 11.554768353694309 > 5.677612160336225 > 117.75000000000001 > 98.79529999999998 > 3 > 1 > 3.67e-02 g/l > N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide > 0 $$$$