canSAR1087164
FEATURES
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NAMES
    SMILES
    C[C@H](CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1
    InChI
    InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)23-33-13-17-35(58)18-14-33)21-41(60)52-28-44(63)56-39(25-32-11-7-4-8-12-32)48(67)57-40(26-34-15-19-36(59)20-16-34)47(66)54-30(2)22-42(61)51-27-43(62)55-38(45(50)64)24-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,64)(H,51,61)(H,52,60)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
    MOLECULAR FORMULA
    C48H59N9O10
    CROSS REFERENCES
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    canSAR1087164
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight921.44
    AlogP-0.34
    HBond donors13
    HBond acceptors19
    Atoms126
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087164.