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canSAR1267316
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NAMES
    SMILES
    O=C(O)C[C@H](NC(=O)C(COCc1ccccc1)NC(=O)CCCCNc1ccccn1)c1cc(Cl)cc(Cl)c1
    InChI
    InChI=1S/C29H32Cl2N4O5/c30-22-14-21(15-23(31)16-22)24(17-28(37)38)35-29(39)25(19-40-18-20-8-2-1-3-9-20)34-27(36)11-5-7-13-33-26-10-4-6-12-32-26/h1-4,6,8-10,12,14-16,24-25H,5,7,11,13,17-19H2,(H,32,33)(H,34,36)(H,35,39)(H,37,38)/t24-,25?/m0/s1
    MOLECULAR FORMULA
    C29H32Cl2N4O5
    CROSS REFERENCES
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    canSAR1267316

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.17
    AlogP 5.00
    HBond donors 4
    HBond acceptors 9
    Atoms 72
    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 canSAR1267316.