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canSAR779361
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(Cc3ccccc3)cc2)[C@@H](C)O)CSC(=O)[C@H](CCSC)NC1=O
    InChI
    InChI=1S/C50H67N7O11S2/c1-6-30(2)42-48(65)53-37(23-25-69-5)50(67)70-29-40(47(64)51-31(3)44(61)54-38(45(62)56-42)27-34-16-11-8-12-17-34)55-49(66)43(32(4)59)57-46(63)39(28-58)52-41(60)18-13-24-68-36-21-19-35(20-22-36)26-33-14-9-7-10-15-33/h7-12,14-17,19-22,30-32,37-40,42-43,58-59H,6,13,18,23-29H2,1-5H3,(H,51,64)(H,52,60)(H,53,65)(H,54,61)(H,55,66)(H,56,62)(H,57,63)/t30-,31+,32+,37-,38-,39-,40+,42+,43-/m0/s1
    MOLECULAR FORMULA
    C50H67N7O11S2
    CROSS REFERENCES
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    canSAR779361

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1005.43
    AlogP 1.54
    HBond donors 9
    HBond acceptors 18
    Atoms 137
    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 canSAR779361.