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canSAR1121749
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC)C(=O)N[C@@H](Cc1ccc(S(=O)(=O)O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
    InChI
    InChI=1S/C52H67N9O16S/c1-4-6-16-36(47(68)58-39(50(71)61-42(52(73)74)27-45(65)66)24-31-19-21-33(22-20-31)78(75,76)77)56-43(62)29-55-46(67)40(25-32-28-54-35-18-12-11-15-34(32)35)59-48(69)37(17-7-5-2)57-51(72)41(26-44(63)64)60-49(70)38(53-3)23-30-13-9-8-10-14-30/h8-15,18-22,28,36-42,53-54H,4-7,16-17,23-27,29H2,1-3H3,(H,55,67)(H,56,62)(H,57,72)(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,63,64)(H,65,66)(H,73,74)(H,75,76,77)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
    MOLECULAR FORMULA
    C52H67N9O16S
    CROSS REFERENCES
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    canSAR1121749

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1105.44
    AlogP 0.47
    HBond donors 13
    HBond acceptors 25
    Atoms 145
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1121749.