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canSAR1124844
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)CCN)C(=O)N[C@@H](C)C(=O)NCCN1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)NCc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)c1
    InChI
    InChI=1S/C49H72N10O10/c1-26(2)20-36(55-40(61)16-17-50)45(64)53-29(7)43(62)51-18-19-59-25-38-34(33-14-9-10-15-35(33)54-38)23-39(59)47(66)52-24-31-12-11-13-32(22-31)44(63)56-37(21-27(3)4)46(65)58-42(30(8)60)48(67)57-41(28(5)6)49(68)69/h9-15,22,26-30,36-37,39,41-42,54,60H,16-21,23-25,50H2,1-8H3,(H,51,62)(H,52,66)(H,53,64)(H,55,61)(H,56,63)(H,57,67)(H,58,65)(H,68,69)/t29-,30+,36-,37-,39-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C49H72N10O10
    CROSS REFERENCES
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    canSAR1124844

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 960.54
    AlogP 0.95
    HBond donors 12
    HBond acceptors 20
    Atoms 141
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1124844.