canSAR2096511
FEATURES
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NAMES
    SMILES
    CCCN1CCN(Cc2ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC(=O)NC(Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1
    InChI
    InChI=1S/C35H55N9O4S/c1-4-13-43-14-16-44(17-15-43)22-25-7-9-27(10-8-25)33(47)42-29(6-5-12-39-35(37)38)34(48)40-28(19-24(2)3)21-31(45)41-30(32(36)46)20-26-11-18-49-23-26/h7-11,18,23-24,28-30H,4-6,12-17,19-22H2,1-3H3,(H2,36,46)(H,40,48)(H,41,45)(H,42,47)(H4,37,38,39)/t28?,29-,30?/m0/s1
    MOLECULAR FORMULA
    C35H55N9O4S
    CROSS REFERENCES
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    canSAR2096511
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight697.41
    AlogP1.77
    HBond donors9
    HBond acceptors13
    Atoms104
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096511.