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canSAR1124734
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)OC(C)(C)C)C(N)=O
    InChI
    InChI=1S/C50H72N12O9/c1-6-7-19-35(41(51)63)57-45(67)39-22-14-25-61(39)47(69)40-23-15-26-62(40)46(68)38(27-31-16-9-8-10-17-31)59-44(66)37(28-32-29-55-34-20-12-11-18-33(32)34)58-42(64)30(2)56-43(65)36(21-13-24-54-48(52)53)60-49(70)71-50(3,4)5/h8-12,16-18,20,29-30,35-40,55H,6-7,13-15,19,21-28H2,1-5H3,(H2,51,63)(H,56,65)(H,57,67)(H,58,64)(H,59,66)(H,60,70)(H4,52,53,54)/t30-,35-,36+,37+,38-,39-,40+/m0/s1
    MOLECULAR FORMULA
    C50H72N12O9
    CROSS REFERENCES
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    canSAR1124734

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 984.55
    AlogP 1.52
    HBond donors 12
    HBond acceptors 21
    Atoms 143
    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 canSAR1124734.