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canSAR835703
FEATURES
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NAMES
    SMILES
    C[C@H](O)[C@@H]1NC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C59H69N9O8/c1-38(69)53-59(76)66-46(32-39-18-8-5-9-19-39)54(71)61-31-17-4-3-14-26-52(70)62-47(33-40-20-10-6-11-21-40)55(72)63-48(34-41-22-12-7-13-23-41)56(73)65-50(36-43-37-68(2)51-25-16-15-24-45(43)51)57(74)64-49(58(75)67-53)35-42-27-29-44(60)30-28-42/h5-13,15-16,18-25,27-30,37-38,46-50,53,69H,3-4,14,17,26,31-36,60H2,1-2H3,(H,61,71)(H,62,70)(H,63,72)(H,64,74)(H,65,73)(H,66,76)(H,67,75)/t38-,46+,47-,48+,49+,50+,53-/m0/s1
    MOLECULAR FORMULA
    C59H69N9O8
    CROSS REFERENCES
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    canSAR835703

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1031.53
    AlogP 3.64
    HBond donors 10
    HBond acceptors 17
    Atoms 145
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR835703.