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canSAR1860233
FEATURES
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NAMES
    SMILES
    CN[C@@H](C)C(=O)N[C@@H](CSCCS(=O)(=O)CCSC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C54H70N8O8S3/c1-37(55-3)49(63)57-43(53(67)61-29-17-27-45(61)51(65)59-47(39-19-9-5-10-20-39)40-21-11-6-12-22-40)35-71-31-33-73(69,70)34-32-72-36-44(58-50(64)38(2)56-4)54(68)62-30-18-28-46(62)52(66)60-48(41-23-13-7-14-24-41)42-25-15-8-16-26-42/h5-16,19-26,37-38,43-48,55-56H,17-18,27-36H2,1-4H3,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t37-,38-,43-,44-,45-,46-/m0/s1
    MOLECULAR FORMULA
    C54H70N8O8S3
    CROSS REFERENCES
    1860233 logo

    canSAR1860233

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1054.45
    AlogP 3.85
    HBond donors 6
    HBond acceptors 16
    Atoms 143
    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 canSAR1860233.