canSAR1417620
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1
    InChI
    InChI=1S/C31H42ClN5O9S2/c1-5-19-16-31(19,28(40)35-47(42,43)22-14-15-22)34-26(38)24-17-36(48(44,45)23-12-10-20(32)11-13-23)18-37(24)27(39)25(30(2,3)4)33-29(41)46-21-8-6-7-9-21/h5,10-13,19,21-22,24-25H,1,6-9,14-18H2,2-4H3,(H,33,41)(H,34,38)(H,35,40)/t19-,24+,25-,31-/m1/s1
    MOLECULAR FORMULA
    C31H42ClN5O9S2
    CROSS REFERENCES
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    canSAR1417620
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight727.21
    AlogP2.25
    HBond donors3
    HBond acceptors14
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417620.