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canSAR835660
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(N(Cc3ccccc3)Cc3ccccc3)cc2)NC1=O
    InChI
    InChI=1S/C74H105N13O10/c1-46(2)40-57-67(90)81-59(42-50-22-12-9-13-23-50)73(96)86-38-20-30-61(86)69(92)83-63(48(5)6)71(94)78-56(29-19-37-76)66(89)80-58(41-47(3)4)68(91)82-60(43-51-32-34-54(35-33-51)85(44-52-24-14-10-15-25-52)45-53-26-16-11-17-27-53)74(97)87-39-21-31-62(87)70(93)84-64(49(7)8)72(95)77-55(28-18-36-75)65(88)79-57/h9-17,22-27,32-35,46-49,55-64H,18-21,28-31,36-45,75-76H2,1-8H3,(H,77,95)(H,78,94)(H,79,88)(H,80,89)(H,81,90)(H,82,91)(H,83,92)(H,84,93)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1
    MOLECULAR FORMULA
    C74H105N13O10
    CROSS REFERENCES
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    canSAR835660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1335.81
    AlogP 4.43
    HBond donors 12
    HBond acceptors 23
    Atoms 202
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR835660.