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canSAR64955
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H]1CC[C@H](NC(=O)c2cc(N=C=S)ccc2-c2c3ccc(=O)cc-3oc3cc(O)ccc23)CC1)C(=O)N[C@@H](CO)C(N)=O
    InChI
    InChI=1S/C53H60N9O16PS/c1-27(2)19-40(52(72)62-42(25-63)48(55)68)59-46(67)24-56-51(71)39(17-18-45(54)66)60-53(73)41(20-28-3-12-34(13-4-28)78-79(74,75)76)61-49(69)29-5-7-30(8-6-29)58-50(70)38-21-31(57-26-80)9-14-35(38)47-36-15-10-32(64)22-43(36)77-44-23-33(65)11-16-37(44)47/h3-4,9-16,21-23,27,29-30,39-42,63-64H,5-8,17-20,24-25H2,1-2H3,(H2,54,66)(H2,55,68)(H,56,71)(H,58,70)(H,59,67)(H,60,73)(H,61,69)(H,62,72)(H2,74,75,76)/t29-,30-,39-,40-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C53H60N9O16PS
    CROSS REFERENCES
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    canSAR64955

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1141.36
    AlogP 1.85
    HBond donors 14
    HBond acceptors 25
    Atoms 140
    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 canSAR64955.