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canSAR1063107
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCC(=O)NCCN(C(=O)CCCN)[C@@H](Cc1ccccc1)C(=O)NCCN(C(=O)CCCN)[C@@H](Cc1ccccc1)C(=O)NCCN(C(=O)CCCN)[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C61H96N10O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-33-55(72)66-40-43-70(57(74)35-25-38-63)53(47-50-29-19-15-20-30-50)60(77)68-42-45-71(58(75)36-26-39-64)54(48-51-31-21-16-22-32-51)61(78)67-41-44-69(56(73)34-24-37-62)52(59(65)76)46-49-27-17-14-18-28-49/h14-22,27-32,52-54H,2-13,23-26,33-48,62-64H2,1H3,(H2,65,76)(H,66,72)(H,67,78)(H,68,77)/t52-,53-,54-/m0/s1
    MOLECULAR FORMULA
    C61H96N10O7
    CROSS REFERENCES
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    canSAR1063107

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1080.75
    AlogP 5.84
    HBond donors 11
    HBond acceptors 17
    Atoms 174
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1063107.