canSAR740905
FEATURES
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NAMES
    SMILES
    C=CC[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1)NC(C)=O)C(=O)OCc1ccccc1.Cl.Cl
    InChI
    InChI=1S/C49H58N8O6.2ClH/c1-3-14-43(48(62)63-31-34-15-5-4-6-16-34)57-46(60)42(22-13-28-53-49(51)52)55-45(59)41(21-11-12-27-50)56-47(61)44(54-32(2)58)29-33-23-25-35(26-24-33)40-30-36-17-7-8-18-37(36)38-19-9-10-20-39(38)40;;/h3-10,15-20,23-26,30,41-44H,1,11-14,21-22,27-29,31,50H2,2H3,(H,54,58)(H,55,59)(H,56,61)(H,57,60)(H4,51,52,53);2*1H/t41-,42+,43-,44-;;/m0../s1
    MOLECULAR FORMULA
    C49H60Cl2N8O6
    CROSS REFERENCES
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    canSAR740905
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight926.40
    AlogP5.72
    HBond donors10
    HBond acceptors14
    Atoms125
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR740905.