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canSAR1062457
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1Cc2cn(cn2)CC(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)NCc1ccccn1
    InChI
    InChI=1S/C49H69N9O7/c1-5-32(4)44(49(65)51-27-35-19-12-13-21-50-35)56-45(61)37(31(2)3)26-42(59)38(23-33-15-8-6-9-16-33)53-47(63)40-25-36-28-57(30-52-36)29-43(60)58-22-14-20-41(58)48(64)55-39(46(62)54-40)24-34-17-10-7-11-18-34/h7,10-13,17-19,21,28,30-33,37-42,44,59H,5-6,8-9,14-16,20,22-27,29H2,1-4H3,(H,51,65)(H,53,63)(H,54,62)(H,55,64)(H,56,61)/t32-,37-,38-,39-,40-,41-,42-,44-/m0/s1
    MOLECULAR FORMULA
    C49H69N9O7
    CROSS REFERENCES
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    canSAR1062457

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 895.53
    AlogP 3.36
    HBond donors 6
    HBond acceptors 16
    Atoms 134
    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 canSAR1062457.