Ketcher 03102122142D 1 1.00000 0.00000 0 41 44 0 0 0 999 V2000 22.5103 -23.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5101 -24.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6434 -24.6981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6433 -25.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7764 -26.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9098 -25.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0430 -26.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1762 -25.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3094 -26.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4427 -25.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4427 -24.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3095 -24.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1763 -24.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5760 -24.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7092 -24.6980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7092 -25.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5760 -26.1993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5760 -23.1967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4427 -22.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3570 -23.1035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0267 -22.3598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5263 -21.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5474 -21.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9335 -20.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9289 -20.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5171 -21.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3359 -19.5598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3314 -19.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7386 -18.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7340 -18.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3221 -19.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9149 -20.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9196 -20.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1412 -17.5224 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 20.7767 -24.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7768 -23.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6437 -22.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6439 -21.6957 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.5107 -21.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7772 -21.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5380 -22.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 8 1 0 0 0 11 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 10 1 0 0 0 14 18 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 19 1 0 0 0 22 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 33 28 1 0 0 0 30 34 1 0 0 0 3 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 38 40 2 0 0 0 38 41 1 0 0 0 M END > CHEBI:167636 > AZT-1152 > A dihydrogen phosphate prodrug of a pyrazoloquinazoline aurora kinase inhibitor AZD1152-hydroxyquinazoline pyrazol anilide(HQPA) and is converted rapidly to the active AZD1152-HQPA in plasma. > 3 > INH-34; AZD2811; AZD1152-HQPA dihydrogen phosphate > 2-[ethyl(3-{[4-({5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl}amino)quinazolin-7-yl]oxy}propyl)amino]ethyl dihydrogen phosphate > barasertibum; barasertib; barasertib; barasertib > C26H31FN7O6P > 587.549 > 587.20575 > 0 > CCN(CCCOC1=CC2=C(C=C1)C(NC1=NNC(CC(=O)NC3=CC(F)=CC=C3)=C1)=NC=N2)CCOP(O)(O)=O > InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33) > GBJVVSCPOBPEIT-UHFFFAOYSA-N > 722543-31-9 > 957881-03-7 > DB11747 > PMC4108943 > 21565405; 21626115; 21679421; 21976672; 22661287; 22864876; 23315030; 23557198; 23605952; 23763917; 24598913; 26637878; 26993175; 27069145; 27496133; 28292940; 29491065; 30540594; 30872381; 32968211 $$$$