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canSAR1128172
FEATURES
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NAMES
    SMILES
    CC(C[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O)C1CCCS1
    InChI
    InChI=1S/C66H78N12O8S3/c1-39(58-20-11-27-87-58)28-53-62(82)78-57(65(85)73-52(59(69)79)32-41-22-24-44-14-3-5-16-46(44)30-41)38-89-88-37-56(77-60(80)49(68)31-40-21-23-43-13-2-4-15-45(43)29-40)66(86)75-54(33-42-12-10-26-70-35-42)63(83)76-55(34-47-36-71-50-18-7-6-17-48(47)50)64(84)72-51(61(81)74-53)19-8-9-25-67/h2-7,10,12-18,21-24,26,29-30,35-36,39,49,51-58,71H,8-9,11,19-20,25,27-28,31-34,37-38,67-68H2,1H3,(H2,69,79)(H,72,84)(H,73,85)(H,74,81)(H,75,86)(H,76,83)(H,77,80)(H,78,82)/t39?,49-,51-,52-,53-,54-,55+,56+,57-,58?/m0/s1
    MOLECULAR FORMULA
    C66H78N12O8S3
    CROSS REFERENCES
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    canSAR1128172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1262.52
    AlogP 4.79
    HBond donors 14
    HBond acceptors 20
    Atoms 167
    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 canSAR1128172.