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canSAR833770
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]2O[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccc(O)cc3)NC1=O)[C@@H](OCc1ccccc1)[C@@H]2O
    InChI
    InChI=1S/C67H86N12O14/c1-37(2)29-47-61(85)77-51(31-40-23-25-43(80)26-24-40)67(91)79-28-14-22-52(79)64(88)76-49(32-42-34-70-45-20-12-11-19-44(42)45)63(87)74-48(30-39-15-7-5-8-16-39)62(86)75-50(33-54(69)81)59(83)71-35-53-57(92-36-41-17-9-6-10-18-41)56(82)58(93-53)66(90)78-55(38(3)4)65(89)72-46(21-13-27-68)60(84)73-47/h5-12,15-20,23-26,34,37-38,46-53,55-58,70,80,82H,13-14,21-22,27-33,35-36,68H2,1-4H3,(H2,69,81)(H,71,83)(H,72,89)(H,73,84)(H,74,87)(H,75,86)(H,76,88)(H,77,85)(H,78,90)/t46-,47-,48+,49-,50-,51+,52-,53+,55-,56-,57+,58+/m0/s1
    MOLECULAR FORMULA
    C67H86N12O14
    CROSS REFERENCES
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    canSAR833770

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1282.64
    AlogP 0.45
    HBond donors 15
    HBond acceptors 26
    Atoms 179
    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 canSAR833770.