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canSAR1269501
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NAMES
    SMILES
    N=C1NC[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc34)N(CCc3ccc(-c4ccccc4)cc3)C2=N)N1CCC12CC3CC(CC(C3)C1)C2
    InChI
    InChI=1S/C47H58N6/c48-45-50-32-42(52(45)24-21-47-29-35-25-36(30-47)27-37(26-35)31-47)14-6-7-22-51-33-43(28-41-13-8-12-40-11-4-5-15-44(40)41)53(46(51)49)23-20-34-16-18-39(19-17-34)38-9-2-1-3-10-38/h1-5,8-13,15-19,35-37,42-43,49H,6-7,14,20-33H2,(H2,48,50)/t35?,36?,37?,42-,43+,47?/m0/s1
    MOLECULAR FORMULA
    C47H58N6
    CROSS REFERENCES
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    canSAR1269501

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 706.47
    AlogP 9.20
    HBond donors 3
    HBond acceptors 6
    Atoms 111
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1269501.