canSAR414381
FEATURES
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NAMES
    SMILES
    CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCN)C1=O)C2
    InChI
    InChI=1S/C29H42N4O4S/c1-27(2)21-8-10-29(27,24(17-21)33-25(34)18-23(26(33)35)31-14-13-30)19-38(36,37)32-15-11-28(12-16-32)9-7-20-5-3-4-6-22(20)28/h3-6,21,23-24,31H,7-19,30H2,1-2H3/t21?,23?,24-,29+/m0/s1
    MOLECULAR FORMULA
    C29H42N4O4S
    CROSS REFERENCES
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    canSAR414381
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight542.29
    AlogP2.17
    HBond donors3
    HBond acceptors8
    Atoms80
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR414381.