Mrv1909 12232219342D 62 69 0 0 1 0 999 V2000 4.1884 -0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 -0.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 -0.3721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9255 -1.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4176 -1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -1.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7267 -2.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2187 -3.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 -2.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8527 -3.4318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6697 -3.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0570 -4.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8694 -4.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9843 -3.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2428 -2.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1852 -2.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8692 -1.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6107 -2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6682 -2.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4097 -3.2152 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.0937 -2.7538 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.4673 -4.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8116 -0.8459 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4956 -0.3845 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0701 -0.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3997 -4.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1176 -5.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3051 -5.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 -5.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0229 -6.4576 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2105 -6.6008 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5532 -7.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2122 -4.6205 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7425 -5.2525 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8962 -4.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4235 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9755 -0.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6784 0.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3194 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 1.4672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 1.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6255 1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8804 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.0694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8995 0.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 1.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6024 2.1533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1544 1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8573 2.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 1.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 1.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0223 2.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 1 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 13 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 12 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 26 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 3 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 3 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 43 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 54 59 1 0 0 0 0 49 59 1 0 0 0 0 59 60 2 0 0 0 0 46 60 1 0 0 0 0 44 61 1 0 0 0 0 40 61 1 0 0 0 0 61 62 2 0 0 0 0 M CHG 8 20 1 21 -1 23 1 24 -1 30 1 31 -1 33 1 34 -1 M END > DB17385 > drugbank > CC[C@@]1(OC(=O)C(C)ON=C2C3=C(C4=C2C=C(C=C4[N+]([O-])=O)[N+]([O-])=O)C(=CC(=C3)[N+]([O-])=O)[N+]([O-])=O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=C(CN(C)C)C1=C3)C2=O > InChI=1S/C39H30N8O15/c1-5-39(26-13-30-34-18(14-43(30)36(49)25(26)16-60-38(39)51)8-21-24(15-42(3)4)31(48)7-6-27(21)40-34)61-37(50)17(2)62-41-35-22-9-19(44(52)53)11-28(46(56)57)32(22)33-23(35)10-20(45(54)55)12-29(33)47(58)59/h6-13,17,48H,5,14-16H2,1-4H3/t17?,39-/m0/s1 > JCCCLGDYMMTBPM-HXDHBHDHSA-N > C39H30N8O15 > 850.71 > 850.183062298 > 16 > 92 > 0.8007820270448001 > 82.47261804760123 > 0 > 1 > 0 > 0 > (19S)-8-[(dimethylamino)methyl]-19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl 2-{[(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)amino]oxy}propanoate > 3.93 > 3.63892862755459 > -5.72 > 1 > 1 > 8 > 1 > 13.376387019070744 > 7.996261871199048 > 9.750331897355126 > 303.42 > 211.40009999999995 > 12 > 0 > 1.63e-03 g/l > 2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile > 0 > DB17385 > investigational > Lipotecan > Lipothecan free base; Propanoic acid, 2-(((2,4,5,7-tetranitro-9h-fluoren-9-ylidene)amino)oxy)-, (4s)-10-((dimethylamino)methyl)-4-ethyl-3,4,12,14-tetrahydro-9-hydroxy-3,14-dioxo-1h-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-4-yl ester > Lipotecan hydrochloride $$$$