169206 logo
canSAR169206
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]5OCO[C@H]54)O[C@H]3[C@H]2O)[C@@H](OC)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@H]3O[C@]4(C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@H]6C[C@](C)(NC(=O)[C@@H](CCCCNC(=O)OCc7ccccc7)NC(=O)OCc7ccccc7)[C@@H](OC)[C@H](C)O6)[C@H](OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)[C@@H](C)O5)[C@@H](C)O4)O[C@]3(C)[C@@H]2O)[C@@]1(C)O
    InChI
    InChI=1S/C93H125Cl2N3O41/c1-41-30-50(99)31-52(100)60(41)81(107)128-56-39-122-93(79-72(56)120-40-121-79)136-57-38-117-83(66(104)71(57)137-93)134-84-74(115-14)65(103)70(55(129-84)37-112-11)132-86-90(9,111)78(69(113-12)44(4)126-86)133-85-75(105)91(10)77(47(7)125-85)138-92(139-91)33-53(101)67(45(5)135-92)130-58-32-54(68(43(3)123-58)131-82(108)61-42(2)62(94)64(102)63(95)73(61)114-13)127-59-34-89(8,76(116-15)46(6)124-59)98-80(106)51(97-88(110)119-36-49-26-20-17-21-27-49)28-22-23-29-96-87(109)118-35-48-24-18-16-19-25-48/h16-21,24-27,30-31,43-47,51,53-59,65-72,74-79,83-86,99-105,111H,22-23,28-29,32-40H2,1-15H3,(H,96,109)(H,97,110)(H,98,106)/t43-,44-,45-,46+,47-,51-,53-,54-,55-,56-,57+,58+,59+,65+,66-,67-,68-,69+,70-,71-,72+,74+,75-,76+,77-,78+,79-,83+,84+,85+,86+,89+,90-,91-,92-,93-/m1/s1
    MOLECULAR FORMULA
    C93H125Cl2N3O41
    CROSS REFERENCES
    169206 logo

    canSAR169206

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2009.72
    AlogP 4.88
    HBond donors 11
    HBond acceptors 44
    Atoms 264
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR169206.