canSAR390731
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
    InChI
    InChI=1S/C50H69N9O3/c51-48(52)53-23-9-16-43(58-47(62)50-29-35-24-36(30-50)26-37(25-35)31-50)45(60)54-32-33-18-21-42(22-19-33)55-46(61)44(28-34-17-20-38-10-7-8-11-39(38)27-34)59-49(56-40-12-3-1-4-13-40)57-41-14-5-2-6-15-41/h7-8,10-11,17-22,27,35-37,40-41,43-44H,1-6,9,12-16,23-26,28-32H2,(H,54,60)(H,55,61)(H,58,62)(H4,51,52,53)(H2,56,57,59)/t35?,36?,37?,43-,44+,50?/m1/s1
    MOLECULAR FORMULA
    C50H69N9O3
    CROSS REFERENCES
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    canSAR390731
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight843.55
    AlogP7.17
    HBond donors9
    HBond acceptors12
    Atoms131
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR390731.