1154945 logo
canSAR1154945
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4[C@H](C/C=C/Cl)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C30H51ClO/c1-20(2)8-6-9-21(3)24-13-14-25-22-11-12-26-23(10-7-19-31)28(32)16-18-30(26,5)27(22)15-17-29(24,25)4/h7,19-28,32H,6,8-18H2,1-5H3/b19-7+/t21-,22+,23+,24-,25+,26?,27+,28-,29-,30+/m1/s1
    MOLECULAR FORMULA
    C30H51ClO
    CROSS REFERENCES
    1154945 logo

    canSAR1154945

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.36
    AlogP 8.84
    HBond donors 1
    HBond acceptors 1
    Atoms 83
    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 canSAR1154945.