Marvin 06270715372D 40 44 0 0 0 0 999 V2000 1.4289 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 3.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 4.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 4.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 5.3623 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 4.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 3.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 4.1249 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 1.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1432 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3148 1.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5477 2.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 3.1472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5477 3.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 4.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1352 6.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9602 6.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3727 5.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5477 5.2906 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 31 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 7 2 1 0 0 0 0 6 7 2 0 0 0 0 1 8 1 0 0 0 0 8 11 1 0 0 0 0 9 8 2 0 0 0 0 9 6 1 0 0 0 0 10 3 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 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 22 23 1 0 0 0 0 22 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 33 28 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 40 1 0 0 0 0 40 37 1 0 0 0 0 40 38 2 0 0 0 0 40 39 2 0 0 0 0 M END > CHEBI:49603 > lapatinib > 3 > CHEBI:38636; CHEBI:49602 > Tykerb; N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE; N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine; GW 572016 > N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-[5-({[2-(methanesulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine > C29H26ClFN4O4S > 581.05840 > 580.13473 > 0 > CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 > InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35) > BCFGMOOMADDAQU-UHFFFAOYSA-N > 10502247 > 231277-92-2 > 231277-92-2 > DB01259 > LSM-1051 > FMM > Lapatinib $$$$