Mrv1909 11211903232D 43 45 0 0 0 0 999 V2000 5.6462 -0.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6462 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6462 0.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4716 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8209 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -1.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 -0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7427 -2.1228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6859 -2.1235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1146 -0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8289 -0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 -2.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 -1.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 -0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -0.4731 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 -2.9495 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 0.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 0.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5434 -2.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8801 -0.8891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1723 -2.1213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4563 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1705 -0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1695 0.3472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 1.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0352 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4598 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 1.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6801 1.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1106 2.8112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 1.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 2.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3961 3.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 1.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8256 3.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7426 -2.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 2.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5432 -2.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 6 1 0 0 0 0 26 8 1 0 0 0 0 41 8 1 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 11 10 1 0 0 0 0 18 10 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 20 12 1 0 0 0 0 14 13 2 0 0 0 0 17 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 19 18 1 0 0 0 0 23 21 2 0 0 0 0 25 21 1 0 0 0 0 23 22 1 0 0 0 0 26 22 2 0 0 0 0 25 24 2 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 32 27 1 0 0 0 0 33 28 2 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 34 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 33 32 1 0 0 0 0 37 34 1 0 0 0 0 39 34 1 0 0 0 0 36 35 1 0 0 0 0 38 35 1 0 0 0 0 40 35 1 0 0 0 0 39 36 1 0 0 0 0 38 37 1 0 0 0 0 40 42 1 0 0 0 0 20 43 1 0 0 0 0 M END > DBSALT002097 > drugbank > CS(O)(=O)=O.CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1 > InChI=1S/C26H31Cl2N7O3.CH4O3S/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28;1-5(2,3)4/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31);1H3,(H,2,3,4) > BXJJFNXYWJLBOS-UHFFFAOYSA-N > C27H35Cl2N7O6S > 656.58 > 655.1746584 > 8 > 78 > 58.50626067764091 > 1 > 2 > 0 > 0 > 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea; methanesulfonic acid > 4.68 > 4.781584896933455 > -4.27 > 1 > 4 > 1 > 17.39741846693039 > 9.983893229482073 > 8.234905907327525 > 95.09 > 152.7095 > 8 > 0 > 2.99e-02 g/l > 4-{[2-amino-2-({2-carboxy-1-[(1-carboxy-2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)ethyl]carbamoyl}-2-[(4-{[(4-oxo-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]butanoic acid > 0 > DBSALT002097 > Infigratinib mesylate > DB11886 > Infigratinib > 1310746-12-3 > E223Z0KWCC $$$$