canSAR740007
FEATURES
Loading...
NAMES
    SMILES
    COC(=O)[C@H](CC(=O)O)NC(=O)c1cc(C(=O)N[C@@H](CC(=O)O)C(=O)OC)cc(-c2ccc(-c3c4nc(c(-c5ccc(-c6cc(C(=O)N[C@@H](CC(=O)O)C(=O)OC)cc(C(=O)N[C@@H](CC(=O)O)C(=O)OC)c6)cc5)c5ccc([nH]5)c(-c5ccc(-c6cc(C(=O)N[C@@H](CC(=O)O)C(=O)OC)cc(C(=O)N[C@H](CC(=O)O)C(=O)OC)c6)cc5)c5nc(c(-c6ccc(-c7cc(C(=O)N[C@@H](CC(=O)O)C(=O)OC)cc(C(=O)N[C@@H](CC(=O)O)C(=O)OC)c7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)c1
    InChI
    InChI=1S/C116H102N12O40/c1-161-109(153)81(45-89(129)130)121-101(145)65-33-61(34-66(41-65)102(146)122-82(46-90(131)132)110(154)162-2)53-9-17-57(18-10-53)97-73-25-27-75(117-73)98(58-19-11-54(12-20-58)62-35-67(103(147)123-83(47-91(133)134)111(155)163-3)42-68(36-62)104(148)124-84(48-92(135)136)112(156)164-4)77-29-31-79(119-77)100(60-23-15-56(16-24-60)64-39-71(107(151)127-87(51-95(141)142)115(159)167-7)44-72(40-64)108(152)128-88(52-96(143)144)116(160)168-8)80-32-30-78(120-80)99(76-28-26-74(97)118-76)59-21-13-55(14-22-59)63-37-69(105(149)125-85(49-93(137)138)113(157)165-5)43-70(38-63)106(150)126-86(50-94(139)140)114(158)166-6/h9-44,81-88,117,120H,45-52H2,1-8H3,(H,121,145)(H,122,146)(H,123,147)(H,124,148)(H,125,149)(H,126,150)(H,127,151)(H,128,152)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,143,144)/b97-73-,97-74-,98-75-,98-77-,99-76-,99-78-,100-79-,100-80-/t81-,82-,83-,84-,85-,86-,87-,88+/m0/s1
    MOLECULAR FORMULA
    C116H102N12O40
    CROSS REFERENCES
    Loading...
    canSAR740007
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2302.63
    AlogP7.96
    HBond donors18
    HBond acceptors52
    Atoms270
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR740007.