canSAR1705880
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)CC(=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/C46H61N13O8/c1-3-26(2)40-46(67)58-25-30(59-24-29(56-57-59)17-16-27-11-5-4-6-12-27)20-37(58)45(66)54-35(19-28-23-51-33-14-8-7-13-31(28)33)43(64)52-34(41(49)62)15-9-10-18-50-39(61)21-32(47)42(63)53-36(22-38(48)60)44(65)55-40/h4-8,11-14,23-24,26,30,32,34-37,40,51H,3,9-10,15-22,25,47H2,1-2H3,(H2,48,60)(H2,49,62)(H,50,61)(H,52,64)(H,53,63)(H,54,66)(H,55,65)/t26-,30-,32+,34-,35-,36-,37-,40-/m1/s1
    MOLECULAR FORMULA
    C46H61N13O8
    CROSS REFERENCES
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    canSAR1705880
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight923.48
    AlogP-0.71
    HBond donors12
    HBond acceptors21
    Atoms128
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1705880.