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canSAR1127430
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@@H]1CCSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
    InChI
    InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)61-46(67)37-19-21-74-75-27-41(60-44(65)34(53)25-42(63)64)50(71)58-38(22-29-10-4-3-5-11-29)48(69)59-40(24-31-26-54-35-13-7-6-12-33(31)35)49(70)55-36(14-8-9-20-52)45(66)57-39(47(68)56-37)23-30-15-17-32(62)18-16-30/h3-7,10-13,15-18,26,28,34,36-41,43,54,62H,8-9,14,19-25,27,52-53H2,1-2H3,(H,55,70)(H,56,68)(H,57,66)(H,58,71)(H,59,69)(H,60,65)(H,61,67)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1
    MOLECULAR FORMULA
    C51H66N10O12S2
    CROSS REFERENCES
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    canSAR1127430

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1074.43
    AlogP 0.75
    HBond donors 15
    HBond acceptors 22
    Atoms 141
    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 canSAR1127430.