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canSAR922928
FEATURES
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NAMES
    SMILES
    CC[C@@]1(OC(=O)OCCSSC[C@H](N)C(=O)NCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
    InChI
    InChI=1S/C68H86N12O15S3/c1-5-68(46-35-54-58-44(34-43-21-14-15-22-48(43)76-58)37-80(54)65(90)45(46)38-94-66(68)91)95-67(92)93-28-30-97-98-39-47(69)60(85)72-27-16-8-13-23-56(82)74-50(24-25-55(70)81)62(87)79-53(33-42-19-11-7-12-20-42)64(89)78-52(32-41-17-9-6-10-18-41)61(86)73-36-57(83)75-51(31-40(2)3)63(88)77-49(59(71)84)26-29-96-4/h6-7,9-12,14-15,17-22,34-35,40,47,49-53H,5,8,13,16,23-33,36-39,69H2,1-4H3,(H2,70,81)(H2,71,84)(H,72,85)(H,73,86)(H,74,82)(H,75,83)(H,77,88)(H,78,89)(H,79,87)/t47-,49-,50-,51-,52-,53-,68-/m0/s1
    MOLECULAR FORMULA
    C68H86N12O15S3
    CROSS REFERENCES
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    canSAR922928

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1406.55
    AlogP 3.20
    HBond donors 13
    HBond acceptors 27
    Atoms 184
    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 canSAR922928.