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canSAR832003
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)NC1CN2CCC1CC2)NC3=O
    InChI
    InChI=1S/C65H57Cl2N9O17/c66-38-13-26-1-7-45(38)92-48-20-32-21-49(58(48)83)93-46-8-4-30(18-39(46)67)57(82)56-65(90)74-55(64(89)70-41-25-76-11-9-27(41)10-12-76)37-23-34(78)24-44(81)50(37)36-17-29(3-5-42(36)79)52(61(86)75-56)72-63(88)54(32)73-62(87)53-31-15-33(77)22-35(16-31)91-47-19-28(2-6-43(47)80)51(68)60(85)69-40(14-26)59(84)71-53/h1-8,13,15-24,27,40-41,51-57,77-83H,9-12,14,25,68H2,(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,87)(H,74,90)(H,75,86)/t40-,41?,51-,52-,53+,54-,55+,56+,57-/m1/s1
    MOLECULAR FORMULA
    C65H57Cl2N9O17
    CROSS REFERENCES
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    canSAR832003

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1305.32
    AlogP 5.11
    HBond donors 16
    HBond acceptors 26
    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 canSAR832003.