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canSAR1156075
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(C)(C)N2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CSC(C)(C)N2C1=O
    InChI
    InChI=1S/C53H73N9O9S2/c1-10-30(4)42-51(71)62-41(28-73-53(62,8)9)48(68)56-37(25-33-26-54-35-20-15-14-19-34(33)35)44(64)57-38(24-32-17-12-11-13-18-32)49(69)61-40(27-72-52(61,6)7)47(67)55-36(23-29(2)3)45(65)59-43(31(5)63)50(70)60-22-16-21-39(60)46(66)58-42/h11-15,17-20,26,29-31,36-43,54,63H,10,16,21-25,27-28H2,1-9H3,(H,55,67)(H,56,68)(H,57,64)(H,58,66)(H,59,65)/t30-,31+,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C53H73N9O9S2
    CROSS REFERENCES
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    canSAR1156075

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1043.50
    AlogP 3.21
    HBond donors 7
    HBond acceptors 18
    Atoms 146
    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 canSAR1156075.