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canSAR500858
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)C(CP(=O)(O)C(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)OC(C)(C)C
    InChI
    InChI=1S/C50H77N10O10P/c1-10-33(6)42(46(64)56-38(22-17-23-54-48(51)52)47(65)70-50(7,8)9)60-43(61)37(32(4)5)29-71(67,68)41(24-31(2)3)59-45(63)40(26-36-27-53-30-55-36)57-44(62)39(25-34-18-13-11-14-19-34)58-49(66)69-28-35-20-15-12-16-21-35/h11-16,18-21,27,30-33,37-42H,10,17,22-26,28-29H2,1-9H3,(H,53,55)(H,56,64)(H,57,62)(H,58,66)(H,59,63)(H,60,61)(H,67,68)(H4,51,52,54)/t33-,37?,38?,39-,40-,41?,42-/m0/s1
    MOLECULAR FORMULA
    C50H77N10O10P
    CROSS REFERENCES
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    canSAR500858

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1008.56
    AlogP 4.42
    HBond donors 11
    HBond acceptors 20
    Atoms 148
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR500858.