canSAR857331
FEATURES
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NAMES
    SMILES
    CN(C)CCO/N=C/C=C/C=C/[C@H]1CC[C@]2(O)C3CC[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C.O=C(O)C(=O)O
    InChI
    InChI=1S/C28H46N2O3.C2H2O4/c1-26-14-12-23(31)20-22(26)9-10-25-24(26)13-15-27(2)21(11-16-28(25,27)32)8-6-5-7-17-29-33-19-18-30(3)4;3-1(4)2(5)6/h5-8,17,21-25,31-32H,9-16,18-20H2,1-4H3;(H,3,4)(H,5,6)/b7-5+,8-6+,29-17+;/t21-,22+,23-,24?,25?,26-,27+,28-;/m0./s1
    MOLECULAR FORMULA
    C30H48N2O7
    CROSS REFERENCES
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    canSAR857331
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight548.35
    AlogP3.95
    HBond donors4
    HBond acceptors9
    Atoms87
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857331.