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canSAR1127710
FEATURES
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NAMES
    SMILES
    CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
    InChI
    InChI=1S/C49H68N14O11/c1-52-27-41(66)57-33(12-7-21-55-49(50)51)42(67)59-35-18-19-40(65)54-20-6-5-11-34(58-45(70)36(60-44(35)69)23-30-14-16-32(64)17-15-30)43(68)61-37(25-31-26-53-28-56-31)47(72)63-22-8-13-39(63)46(71)62-38(48(73)74)24-29-9-3-2-4-10-29/h2-4,9-10,14-17,26,28,33-39,52,64H,5-8,11-13,18-25,27H2,1H3,(H,53,56)(H,54,65)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,73,74)(H4,50,51,55)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
    MOLECULAR FORMULA
    C49H68N14O11
    CROSS REFERENCES
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    canSAR1127710

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1028.52
    AlogP -2.52
    HBond donors 15
    HBond acceptors 25
    Atoms 142
    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 canSAR1127710.