5287989 -OEChem-10051720063D 32 34 0 0 0 0 0 0 0999 V2000 3.0209 3.6432 -0.3262 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.0978 0.2881 0.2072 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1953 1.6072 0.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8124 0.0090 -1.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 -0.7470 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6659 -0.9460 -0.5738 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 -2.0774 0.1927 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 1.3624 0.1514 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 -0.0747 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -0.6561 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7428 -0.1354 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 -0.9819 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 0.5430 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6613 -1.2714 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0931 0.2536 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1037 0.0056 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7123 1.2021 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6478 -0.9078 1.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 -0.8895 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 1.9183 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 -2.1453 0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8756 -1.8946 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7449 -1.4789 -1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 1.2419 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 -1.9810 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 0.7289 1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 1.7752 -0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7081 -0.7311 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0755 -0.7782 2.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5055 -1.9102 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1187 -0.6564 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9136 -3.1151 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 21 2 0 0 0 0 8 16 1 0 0 0 0 8 20 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 21 32 1 0 0 0 0 M END > DB02963 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LVNXHNRYPADEAD-UHFFFAOYSA-N/SDF?record_type=3d > CS(=O)(=O)C1=CC=C(NC2=CC(Cl)=NC3=CC=NN23)C=C1 > InChI=1S/C13H11ClN4O2S/c1-21(19,20)10-4-2-9(3-5-10)16-13-8-11(14)17-12-6-7-15-18(12)13/h2-8,16H,1H3 > LVNXHNRYPADEAD-UHFFFAOYSA-N > C13H11ClN4O2S > 322.77 > 322.029124013 > 5 > 32 > 1.8641089359173356e-06 > 31.07649574957397 > 1 > 1 > 0 > 1 > 5-chloro-N-(4-methanesulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine > 2.65 > 1.8467198006666667 > -4.01 > 0 > 0 > 3 > 0 > 17.612038945998275 > 16.053341520558973 > 1.271264435162815 > 76.36 > 91.38280000000002 > 3 > 1 > 3.14e-02 g/l > tetrahydrofolic acid > 0 $$$$