Mrv1652306131722002D 69 72 0 0 1 0 999 V2000 8.1367 -2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3805 -2.1980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7168 -2.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9606 -2.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 -1.5383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1120 -1.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4482 -1.6984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6920 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0283 -1.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 -2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 -1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7121 -0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0949 -0.2494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4247 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 0.4267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9948 0.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9202 1.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 0.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4147 1.0909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1709 0.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8347 1.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5909 0.9211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2546 1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 2.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6746 1.5712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4308 1.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 0.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 -0.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2794 0.0916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9431 0.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6993 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7918 -0.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1280 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3718 -0.7282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7081 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8005 -2.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3952 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2881 -1.3782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5319 -1.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0443 -1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5821 2.3910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8260 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2459 2.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0021 2.5511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0945 1.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8507 1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5145 1.8914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4220 2.7112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6659 3.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0858 3.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9934 4.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2707 1.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9344 2.0514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 2.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4244 1.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5982 2.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6833 0.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 1.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6586 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 2.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 -0.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5996 -0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5406 -2.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8769 -3.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 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 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 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 31 36 1 6 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 2 41 1 0 0 0 0 41 42 1 0 0 0 0 5 42 1 1 0 0 0 41 43 1 6 0 0 0 27 44 1 1 0 0 0 44 45 1 6 0 0 0 44 46 1 0 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 47 52 1 0 0 0 0 51 53 1 1 0 0 0 53 54 1 0 0 0 0 50 55 1 6 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 56 59 1 0 0 0 0 23 60 1 6 0 0 0 21 61 1 0 0 0 0 20 62 1 6 0 0 0 19 63 1 1 0 0 0 63 64 1 0 0 0 0 16 65 1 6 0 0 0 14 66 1 1 0 0 0 8 67 1 0 0 0 0 7 68 1 6 0 0 0 68 69 1 0 0 0 0 M END > DB06233 > drugbank > CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O > InChI=1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-39)64-9)68-69(11,12)62)31-42(55)34(3)27-37(6)48(57)49(65-10)47(56)36(5)26-32/h13-15,18-19,27,32,34-36,38-41,43-46,48-49,57,61H,16-17,20-26,28-31H2,1-12H3/b15-13+,18-14+,33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1 > BUROJSBIWGDYCN-GAUTUEMISA-N > C53H84NO14P > 990.222 > 989.562943387 > 12 > 153 > 107.24545243966483 > 0 > 2 > 0 > 0 > (1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl dimethylphosphinate > 4.84 > 7.249830385333336 > -6.09 > 1 > 4 > 0 > 13.437222826113864 > 9.96375284872515 > -3.0082245188775714 > 201.49999999999994 > 267.98310000000004 > 8 > 0 > 8.05e-04 g/l > (1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.0^{4,9}]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl dimethylphosphinate > 0 > DB06233 > investigational > Ridaforolimus > Deforolimus; Ridaforolimus $$$$