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canSAR1968748
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NAMES
    SMILES
    Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(CC5(O)CCCCC5)c4=O)cc3c2n1C(C)C
    InChI
    InChI=1S/C30H33N5O3/c1-20(2)35-21(3)33-26-18-32-25-12-11-22(17-24(25)27(26)35)9-7-15-31-28(36)23-10-8-16-34(29(23)37)19-30(38)13-5-4-6-14-30/h8,10-12,16-18,20,38H,4-6,13-15,19H2,1-3H3,(H,31,36)
    MOLECULAR FORMULA
    C30H33N5O3
    CROSS REFERENCES
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    canSAR1968748

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.26
    AlogP 4.11
    HBond donors 2
    HBond acceptors 8
    Atoms 71
    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 canSAR1968748.