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canSAR834928
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(NCc3ccccc3)cc2)NC1=O
    InChI
    InChI=1S/C67H99N13O10/c1-40(2)35-50-60(83)75-52(37-44-19-11-9-12-20-44)66(89)79-33-17-25-54(79)62(85)77-56(42(5)6)64(87)72-49(24-16-32-69)59(82)74-51(36-41(3)4)61(84)76-53(38-45-27-29-47(30-28-45)70-39-46-21-13-10-14-22-46)67(90)80-34-18-26-55(80)63(86)78-57(43(7)8)65(88)71-48(23-15-31-68)58(81)73-50/h9-14,19-22,27-30,40-43,48-57,70H,15-18,23-26,31-39,68-69H2,1-8H3,(H,71,88)(H,72,87)(H,73,81)(H,74,82)(H,75,83)(H,76,84)(H,77,85)(H,78,86)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1
    MOLECULAR FORMULA
    C67H99N13O10
    CROSS REFERENCES
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    canSAR834928

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1245.76
    AlogP 2.84
    HBond donors 13
    HBond acceptors 23
    Atoms 189
    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 canSAR834928.