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canSAR2206443
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NAMES
    SMILES
    C[C@@H](Nc1nc(C(=O)O)nc2nc(C3(c4ccccc4)CCC3)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1
    InChI
    InChI=1S/C30H39N5O2/c1-19-12-14-21(15-13-19)18-35-24-25(31-20(2)22-8-6-9-22)32-27(28(36)37)33-26(24)34-29(35)30(16-7-17-30)23-10-4-3-5-11-23/h3-5,10-11,19-22H,6-9,12-18H2,1-2H3,(H,36,37)(H,31,32,33)/t19-,20-,21-/m1/s1
    MOLECULAR FORMULA
    C30H39N5O2
    CROSS REFERENCES
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    canSAR2206443

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.31
    AlogP 6.42
    HBond donors 2
    HBond acceptors 7
    Atoms 76
    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 canSAR2206443.