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canSAR833428
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NAMES
    SMILES
    C=CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5COC(Cn6ccnc6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
    InChI
    InChI=1S/C35H35Cl2N7O4/c1-2-14-44-34(45)43(25-39-44)29-6-4-27(5-7-29)41-16-18-42(19-17-41)28-8-10-30(11-9-28)46-21-31-22-47-35(48-31,23-40-15-13-38-24-40)32-12-3-26(36)20-33(32)37/h2-13,15,20,24-25,31H,1,14,16-19,21-23H2/t31-,35?/m1/s1
    MOLECULAR FORMULA
    C35H35Cl2N7O4
    CROSS REFERENCES
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    canSAR833428

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 687.21
    AlogP 5.40
    HBond donors 0
    HBond acceptors 11
    Atoms 83
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR833428.