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canSAR1265214
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(CCCCN(CCn1cnc2c(=O)[nH]c(N)nc21)CCP(=O)(N[C@@H](Cc1ccccc1)C(=O)OCC)N[C@@H](Cc1ccccc1)C(=O)OCC)N[C@@H](Cc1ccccc1)C(=O)OCC
    InChI
    InChI=1S/C57H76N10O11P2/c1-5-75-53(69)46(37-42-23-13-9-14-24-42)62-79(73,63-47(54(70)76-6-2)38-43-25-15-10-16-26-43)35-22-21-31-66(32-33-67-41-59-50-51(67)60-57(58)61-52(50)68)34-36-80(74,64-48(55(71)77-7-3)39-44-27-17-11-18-28-44)65-49(56(72)78-8-4)40-45-29-19-12-20-30-45/h9-20,23-30,41,46-49H,5-8,21-22,31-40H2,1-4H3,(H2,62,63,73)(H2,64,65,74)(H3,58,60,61,68)/t46-,47-,48-,49-/m0/s1
    MOLECULAR FORMULA
    C57H76N10O11P2
    CROSS REFERENCES
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    canSAR1265214

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1138.52
    AlogP 6.23
    HBond donors 7
    HBond acceptors 21
    Atoms 156
    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 canSAR1265214.