1433453 logo
canSAR1433453
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O.Cl
    InChI
    InChI=1S/C27H43NO3.ClH/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2;/h15-23,25,29,31H,4-14H2,1-3H3;1H/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-;/m0./s1
    MOLECULAR FORMULA
    C27H44ClNO3
    CROSS REFERENCES
    1433453 logo

    canSAR1433453

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.30
    AlogP 4.31
    HBond donors 2
    HBond acceptors 4
    Atoms 76
    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 canSAR1433453.