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canSAR778984
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncn2C)C(C)(C)C)NCc2ccc(cc2)OCCOCCNC1=O
    InChI
    InChI=1S/C38H54N8O7S/c1-24(2)30-34(49)39-16-17-52-18-19-53-27-14-12-26(13-15-27)21-40-31(35(50)44-30)32(48)28(20-25-10-8-7-9-11-25)42-36(51)33(38(3,4)5)43-29(47)22-54-37-45-41-23-46(37)6/h7-15,23-24,28,30-33,40,48H,16-22H2,1-6H3,(H,39,49)(H,42,51)(H,43,47)(H,44,50)/t28-,30-,31+,32+,33+/m0/s1
    MOLECULAR FORMULA
    C38H54N8O7S
    CROSS REFERENCES
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    canSAR778984

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 766.38
    AlogP 1.35
    HBond donors 6
    HBond acceptors 15
    Atoms 108
    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 canSAR778984.