Ketcher 11051516022D 1 1.00000 0.00000 0 41 45 0 0 0 999 V2000 7.5927 -18.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 -12.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 -16.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7266 -14.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -17.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0572 -15.5103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0572 -13.5101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 -17.0104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1911 -12.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0572 -18.5106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -16.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 -16.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -15.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 -15.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -15.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -18.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -18.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 -15.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1911 -15.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 -14.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1911 -14.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7266 -18.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0572 -16.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1911 -17.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0572 -12.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1911 -18.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4588 -18.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -16.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -18.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4588 -17.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 -18.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -12.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4588 -12.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -13.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 -12.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4588 -14.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 -13.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -13.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -14.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -12.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5979 -15.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 1 27 1 0 0 0 2 25 2 0 0 0 3 30 1 0 0 0 4 37 1 0 0 0 4 38 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 5 16 1 0 0 0 6 18 1 0 0 0 6 19 1 0 0 0 6 23 1 0 0 0 7 20 1 0 0 0 7 21 1 0 0 0 7 25 1 0 0 0 8 23 2 0 0 0 8 31 1 0 0 0 9 25 1 0 0 0 9 32 1 0 0 0 10 26 1 0 0 0 10 31 2 0 0 0 11 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 14 15 1 0 0 0 16 17 1 0 0 0 17 22 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 23 24 1 0 0 0 24 26 1 0 0 0 24 28 2 0 0 0 26 29 2 0 0 0 27 29 1 0 0 0 27 30 2 0 0 0 28 30 1 0 0 0 32 33 2 0 0 0 32 34 1 0 0 0 33 35 1 0 0 0 34 36 2 0 0 0 35 37 2 0 0 0 36 37 1 0 0 0 38 39 1 0 0 0 38 40 1 0 0 0 3 41 1 0 0 0 M END > CHEBI:90237 > tandutinib > An N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a (p-isopropoxyphenyl)aminocarbonyl group. Tandutinib is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT. > 3 > MLN518; MLN-518; MLN 518; CT53518; CT-53518; CT 53518; (4-(6-methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl)piperazinyl)-N-(4-(methylethoxy)phenyl)carboxamide > 4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide > tandutinibum; tandutinib; tandutinib; tandutinib > C31H42N6O4 > 562.704 > 562.32675 > 0 > O(CCCN1CCCCC1)C=2C=C3N=CN=C(N4CCN(CC4)C(=O)NC5=CC=C(OC(C)C)C=C5)C3=CC2OC > InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) > UXXQOJXBIDBUAC-UHFFFAOYSA-N > 387867-13-2 > 9241203 > 387867-13-2 > DB05465 > D06005 > LSM-5949 > 12124172; 17962760; 18175263; 20711630; 22146535; 23427297; 23525656; 23619284 $$$$