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canSAR343395
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3CCC4Cc5nn(CCO)cc5C[C@]4(C)C3CC[C@@]21C
    InChI
    InChI=1S/C29H45N3O4/c1-18(4-9-26(34)30-16-27(35)36)22-7-8-23-21-6-5-20-14-25-19(17-32(31-25)12-13-33)15-29(20,3)24(21)10-11-28(22,23)2/h17-18,20-24,33H,4-16H2,1-3H3,(H,30,34)(H,35,36)/t18-,20?,21?,22?,23?,24?,28-,29+/m1/s1
    MOLECULAR FORMULA
    C29H45N3O4
    CROSS REFERENCES
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    canSAR343395

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.34
    AlogP 4.07
    HBond donors 3
    HBond acceptors 7
    Atoms 81
    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 canSAR343395.