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canSAR828897
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCCOc2ccc(C(=O)c3ccccc3)cc2)[C@@H](C)O)CSC(=O)[C@H](CCSC)NC1=O
    InChI
    InChI=1S/C50H65N7O12S2/c1-6-29(2)41-48(66)53-36(23-25-70-5)50(68)71-28-39(47(65)51-30(3)44(62)54-37(45(63)56-41)26-32-14-9-7-10-15-32)55-49(67)42(31(4)59)57-46(64)38(27-58)52-40(60)18-13-24-69-35-21-19-34(20-22-35)43(61)33-16-11-8-12-17-33/h7-12,14-17,19-22,29-31,36-39,41-42,58-59H,6,13,18,23-28H2,1-5H3,(H,51,65)(H,52,60)(H,53,66)(H,54,62)(H,55,67)(H,56,63)(H,57,64)/t29-,30+,31+,36-,37-,38-,39+,41+,42-/m0/s1
    MOLECULAR FORMULA
    C50H65N7O12S2
    CROSS REFERENCES
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    canSAR828897

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1019.41
    AlogP 1.18
    HBond donors 9
    HBond acceptors 19
    Atoms 136
    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 canSAR828897.