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canSAR783782
FEATURES
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NAMES
    SMILES
    C[C@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C54H67N11O10S2/c1-31(66)46-53(73)63-43(25-33-14-6-3-7-15-33)51(71)64-45(54(74)75)30-77-76-29-38(57)47(67)60-41(24-32-12-4-2-5-13-32)49(69)61-42(26-34-19-21-36(56)22-20-34)50(70)62-44(27-35-28-58-39-17-9-8-16-37(35)39)52(72)59-40(48(68)65-46)18-10-11-23-55/h2-9,12-17,19-22,28,31,38,40-46,58,66H,10-11,18,23-27,29-30,55-57H2,1H3,(H,59,72)(H,60,67)(H,61,69)(H,62,70)(H,63,73)(H,64,71)(H,65,68)(H,74,75)/t31-,38+,40-,41+,42-,43-,44+,45-,46-/m0/s1
    MOLECULAR FORMULA
    C54H67N11O10S2
    CROSS REFERENCES
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    canSAR783782

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1093.45
    AlogP 0.73
    HBond donors 16
    HBond acceptors 21
    Atoms 144
    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 canSAR783782.