780071 logo
canSAR780071
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(C(C(=O)O)c2ccc(Cl)s2)CC1
    InChI
    InChI=1S/C34H39ClN4O2S/c1-23-36-28-9-5-6-10-29(28)39(23)27-21-25-11-12-26(22-27)38(25)20-17-34(24-7-3-2-4-8-24)15-18-37(19-16-34)32(33(40)41)30-13-14-31(35)42-30/h2-10,13-14,25-27,32H,11-12,15-22H2,1H3,(H,40,41)/t25-,26+,27+,32?
    MOLECULAR FORMULA
    C34H39ClN4O2S
    CROSS REFERENCES
    780071 logo

    canSAR780071

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 602.25
    AlogP 7.48
    HBond donors 1
    HBond acceptors 6
    Atoms 81
    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 canSAR780071.