canSAR1829773
FEATURES
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NAMES
    SMILES
    CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCC)SC2(C)C)C(C)(C)S1.O
    InChI
    InChI=1S/C38H54N8O6S2.H2O/c1-7-39-31(49)27(43-25(47)21-23-15-11-9-12-16-23)35-45-29(37(3,4)53-35)33(51)41-19-20-42-34(52)30-38(5,6)54-36(46-30)28(32(50)40-8-2)44-26(48)22-24-17-13-10-14-18-24;/h9-18,27-30,35-36,45-46H,7-8,19-22H2,1-6H3,(H,39,49)(H,40,50)(H,41,51)(H,42,52)(H,43,47)(H,44,48);1H2/t27-,28-,29+,30+,35-,36-;/m1./s1
    MOLECULAR FORMULA
    C38H56N8O7S2
    CROSS REFERENCES
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    canSAR1829773
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight800.37
    AlogP-0.26
    HBond donors10
    HBond acceptors15
    Atoms111
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1829773.