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canSAR1065506
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC(=O)[C@H](CC23CC4CC(CC(C4)C2)C3)NC(=O)[C@H](CCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O
    InChI
    InChI=1S/C67H102N14O10/c1-41(2)31-51-61(86)72-47(19-9-25-68)58(83)77-52(35-42-15-5-3-6-16-42)65(90)81-30-14-24-56(81)64(89)75-50(22-12-28-71)60(85)79-54(40-67-37-44-32-45(38-67)34-46(33-44)39-67)62(87)73-48(20-10-26-69)59(84)78-53(36-43-17-7-4-8-18-43)66(91)80-29-13-23-55(80)63(88)74-49(21-11-27-70)57(82)76-51/h3-8,15-18,41,44-56H,9-14,19-40,68-71H2,1-2H3,(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,76,82)(H,77,83)(H,78,84)(H,79,85)/t44?,45?,46?,47-,48-,49-,50-,51-,52+,53+,54-,55-,56-,67?/m0/s1
    MOLECULAR FORMULA
    C67H102N14O10
    CROSS REFERENCES
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    canSAR1065506

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1262.79
    AlogP 0.95
    HBond donors 16
    HBond acceptors 24
    Atoms 193
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1065506.