Mrv1652301121721422D 33 34 0 0 0 0 999 V2000 3.1349 0.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 -0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 0.1440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5238 -0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2775 -0.4691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1906 -0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1906 -1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 -1.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6196 -1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6196 -0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 -0.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -0.2911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8891 -0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7141 -0.9586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 2.0846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1199 2.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 1.6431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 1.1285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6706 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0206 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.2586 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -4.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -4.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 4 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 9 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 12 17 1 0 0 0 0 16 18 1 0 0 0 0 6 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 5 22 2 0 0 0 0 19 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M END > DBSALT002091 > drugbank > OP(O)(O)=O.OP(O)(O)=O.CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=C2OC(N)=NC2=C1 > InChI=1S/C15H15N7O.2H3O4P/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10;2*1-5(2,3)4/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19);2*(H3,1,2,3,4) > QSGFPHZWXWVYBU-UHFFFAOYSA-N > C15H21N7O9P2 > 505.321 > 505.08759928 > 6 > 54 > 32.64921760139538 > 1 > 2 > 0 > 0 > 5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine; bis(phosphoric acid) > 1.97 > 1.6378693336666665 > -3.13 > 0 > 4 > 0 > 19.698540162767888 > 13.85702310505393 > 4.069103206327577 > 121.67 > 97.6903 > 2 > 0 > 2.30e-01 g/l > 5-{4-amino-1-isopropylpyrazolo[3,4-d]pyrimidin-3-yl}-1,3-benzoxazol-2-amine; bis(phosphoric acid) > 0 > DBSALT002091 > Sapanisertib Diphosphate > DB11836 > Sapanisertib > 1422006-45-8 > 6AXE5IZ00D $$$$