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canSAR830387
FEATURES
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NAMES
    SMILES
    CN(C)CCNC(=O)[C@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(c(Cl)c5)Oc5cc3cc(c5O)Oc3ccc(cc3Cl)[C@H]2O)NC(=O)[C@H](N)c2ccc(O)c(c2)Oc2cc(O)cc4c2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21
    InChI
    InChI=1S/C62H55Cl2N9O17/c1-73(2)12-11-66-58(83)52-35-23-32(75)24-41(78)47(35)34-17-27(5-7-39(34)76)49-59(84)72-53(62(87)71-52)54(79)28-6-10-43(37(64)18-28)90-46-21-30-20-45(55(46)80)89-42-9-3-25(13-36(42)63)14-38-56(81)68-50(60(85)70-51(30)61(86)69-49)29-15-31(74)22-33(16-29)88-44-19-26(4-8-40(44)77)48(65)57(82)67-38/h3-10,13,15-24,38,48-54,74-80H,11-12,14,65H2,1-2H3,(H,66,83)(H,67,82)(H,68,81)(H,69,86)(H,70,85)(H,71,87)(H,72,84)/t38-,48-,49-,50+,51-,52+,53+,54-/m1/s1
    MOLECULAR FORMULA
    C62H55Cl2N9O17
    CROSS REFERENCES
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    canSAR830387

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1267.31
    AlogP 4.58
    HBond donors 16
    HBond acceptors 26
    Atoms 145
    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 canSAR830387.