canSAR1087820
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccn(-c2cc(Cl)cc(Cl)c2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C38H51Cl2N9O5/c1-5-23(4)32(37(54)46-30(33(41)50)17-24-10-7-6-8-11-24)48-36(53)31(16-22(2)3)47-35(52)29(12-9-14-44-38(42)43)45-34(51)25-13-15-49(21-25)28-19-26(39)18-27(40)20-28/h6-8,10-11,13,15,18-23,29-32H,5,9,12,14,16-17H2,1-4H3,(H2,41,50)(H,45,51)(H,46,54)(H,47,52)(H,48,53)(H4,42,43,44)/t23-,29-,30-,31-,32-/m0/s1
    MOLECULAR FORMULA
    C38H51Cl2N9O5
    CROSS REFERENCES
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    canSAR1087820
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight783.34
    AlogP3.42
    HBond donors10
    HBond acceptors14
    Atoms105
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087820.