Mrv1652310201622502D 52 56 0 0 1 0 999 V2000 -3.1422 -2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8562 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7243 -1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 -2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 -2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6683 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 -0.8709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.8567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 1.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 0.8706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.8857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8548 1.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6871 2.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 3.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1696 3.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 2.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7101 3.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 2.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 4.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 4.5242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4252 5.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1397 5.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 6.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8541 5.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 4.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8539 4.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1391 3.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 2.0624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0297 1.5110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8449 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 2.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 3.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 3.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8438 4.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 4.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -1.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 -2.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -3.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5946 -2.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 10 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 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 3 23 1 0 0 0 0 23 24 2 0 0 0 0 5 24 1 0 0 0 0 19 25 1 0 0 0 0 18 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 32 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 33 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 15 41 1 0 0 0 0 41 42 1 0 0 0 0 13 42 1 0 0 0 0 42 43 1 6 0 0 0 41 44 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 9 49 1 0 0 0 0 8 50 1 0 0 0 0 50 51 2 0 0 0 0 4 52 1 0 0 0 0 M END > DB11812 > drugbank > CCC1=C(C)\C2=C\C3=C(C=C)C(C)=C(N3)\C=C3/N=C([C@@H](CCC(O)=O)[C@@H]3C)/C(/CC(=O)N[C@@H](CC(O)=O)C(O)=O)=C3\N\C(=C/C1=N2)C(C)=C3C(O)=O > InChI=1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1 > VSEIDZLLWQQJGK-WSUYNKMOSA-N > C38H41N5O9 > 711.772 > 711.29042792 > 11 > 93 > 76.96489033284121 > 0 > 7 > 0 > 0 > (2S)-2-{2-[(4S,5S)-20-carboxy-4-(2-carboxyethyl)-10-ethenyl-15-ethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-2-yl]acetamido}butanedioic acid > 2.23 > 2.5828587899662674 > -4.95 > 1 > 5 > -4 > 3.332153367315824 > 2.787935664320652 > 5.4505975558708615 > 235.65999999999997 > 189.2341000000001 > 12 > 0 > 7.97e-03 g/l > (2S)-2-{2-[(4S,5S)-20-carboxy-4-(2-carboxyethyl)-10-ethenyl-15-ethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-2-yl]acetamido}butanedioic acid > 0 > DB11812 > investigational > Talaporfin > Talaporfin > Talaporfin Sodium $$$$