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canSAR834570
FEATURES
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NAMES
    SMILES
    N[C@H]1C(=O)N[C@@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@H](C(=O)NCCN1CCOCC1)NC3=O
    InChI
    InChI=1S/C64H57Cl2N9O18/c65-38-15-27-1-7-44(38)92-47-22-32-23-48(57(47)82)93-45-8-4-30(20-39(45)66)56(81)55-64(89)73-54(60(85)68-9-10-75-11-13-90-14-12-75)37-25-34(77)26-43(80)49(37)36-19-29(3-5-41(36)78)51(61(86)74-55)71-63(88)53(32)72-62(87)52-31-17-33(76)24-35(18-31)91-46-21-28(2-6-42(46)79)50(67)59(84)69-40(16-27)58(83)70-52/h1-8,15,17-26,40,50-56,76-82H,9-14,16,67H2,(H,68,85)(H,69,84)(H,70,83)(H,71,88)(H,72,87)(H,73,89)(H,74,86)/t40-,50-,51-,52+,53-,54+,55+,56-/m1/s1
    MOLECULAR FORMULA
    C64H57Cl2N9O18
    CROSS REFERENCES
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    canSAR834570

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1309.32
    AlogP 4.35
    HBond donors 16
    HBond acceptors 27
    Atoms 150
    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 canSAR834570.