canSAR734576
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2cccc3c(Nc4ccccc4)cc(nc23)-c2ccc(cc2)C/C=C/C[C@@H](C(N)=O)NC(=O)[C@@H](CC(C)C)NC1=O
    InChI
    InChI=1S/C46H58N10O5/c1-27(2)24-38-44(60)53-34(41(47)57)17-9-8-12-29-19-21-30(22-20-29)36-26-37(51-31-13-6-5-7-14-31)32-15-10-16-33(40(32)52-36)42(58)54-35(18-11-23-50-46(48)49)43(59)55-39(25-28(3)4)45(61)56-38/h5-10,13-16,19-22,26-28,34-35,38-39H,11-12,17-18,23-25H2,1-4H3,(H2,47,57)(H,51,52)(H,53,60)(H,54,58)(H,55,59)(H,56,61)(H4,48,49,50)/b9-8+/t34-,35-,38+,39+/m0/s1
    MOLECULAR FORMULA
    C46H58N10O5
    CROSS REFERENCES
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    canSAR734576
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight830.46
    AlogP4.54
    HBond donors11
    HBond acceptors15
    Atoms119
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR734576.