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canSAR1636309
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2C[C@@H](n3cc(CCc4ccccc4)nn3)CN2C1=O
    InChI
    InChI=1S/C47H63N13O8/c1-3-27(2)41-47(68)59-26-31(60-25-30(57-58-60)17-16-28-11-5-4-6-12-28)22-38(59)46(67)55-36(21-29-24-52-34-14-8-7-13-32(29)34)44(65)53-35(42(50)63)15-9-10-20-51-40(62)19-18-33(48)43(64)54-37(23-39(49)61)45(66)56-41/h4-8,11-14,24-25,27,31,33,35-38,41,52H,3,9-10,15-23,26,48H2,1-2H3,(H2,49,61)(H2,50,63)(H,51,62)(H,53,65)(H,54,64)(H,55,67)(H,56,66)/t27-,31-,33+,35-,36-,37-,38-,41-/m1/s1
    MOLECULAR FORMULA
    C47H63N13O8
    CROSS REFERENCES
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    canSAR1636309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 937.49
    AlogP -0.32
    HBond donors 12
    HBond acceptors 21
    Atoms 131
    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 canSAR1636309.