canSAR1746502
FEATURES
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NAMES
    SMILES
    C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CC(N)=O)n3cc([C@@H](N)C(C)C)nn3)CC2)n1
    InChI
    InChI=1S/C30H48N12O6/c1-4-12-45-16-18-48-19-17-46-13-5-33-28-34-29(36-30(35-28)41-10-14-47-15-11-41)40-8-6-39(7-9-40)27(44)24(20-25(31)43)42-21-23(37-38-42)26(32)22(2)3/h1,21-22,24,26H,5-20,32H2,2-3H3,(H2,31,43)(H,33,34,35,36)/t24-,26-/m0/s1
    MOLECULAR FORMULA
    C30H48N12O6
    CROSS REFERENCES
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    canSAR1746502
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight672.38
    AlogP-1.18
    HBond donors5
    HBond acceptors18
    Atoms96
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746502.