24905144 -OEChem-10051721183D 34 37 0 0 0 0 0 0 0999 V2000 2.7888 -1.7045 -0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 -1.8988 0.0266 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 0.1063 -0.3102 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3108 2.2835 -0.0867 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9607 2.5315 0.2489 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9829 -0.6573 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9822 0.3281 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4248 -0.4567 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 -0.3900 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6528 -0.1213 -0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -0.3186 -0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1778 -0.0637 0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9411 -0.4000 1.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 1.7145 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -0.2050 1.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 -2.8438 -0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5222 0.0195 -1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 0.1335 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8894 0.2150 -1.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4054 0.2721 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3686 1.4559 -0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 -0.3633 -1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2924 -0.5052 2.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 -0.1637 2.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -3.4627 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3351 -3.4036 -1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6925 -2.5110 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1409 -0.0216 -2.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 0.1813 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5509 0.3227 -2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4699 0.4242 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.9442 -0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 3.5349 0.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 2.1363 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 6 2 0 0 0 0 3 9 2 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 21 2 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M END > DB08300 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UOKGZPYGRJDACN-UHFFFAOYSA-N/SDF?record_type=3d > CN1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CC=C2C=C1 > InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19) > UOKGZPYGRJDACN-UHFFFAOYSA-N > C16H13N5 > 275.3079 > 275.117095441 > 4 > 34 > 0.0006457555755349605 > 29.740000267528885 > 1 > 1 > 0 > 1 > 1-methyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine > 2.58 > 2.652019469333333 > -3.75 > 0 > 0 > 4 > 0 > 19.679207491332832 > 3.81134972473664 > 69.62 > 94.13430000000001 > 1 > 1 > 4.94e-02 g/l > biotin > 0 $$$$