canSAR2079908
FEATURES
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NAMES
    SMILES
    CSCCC(NC(=O)C(N)CS)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O)C(C)C
    InChI
    InChI=1S/C58H90N16O13S2/c1-32(2)25-39(68-52(81)43-16-10-21-72(43)54(83)38(19-24-89-5)66-47(76)36(59)30-88)49(78)67-40(27-35-28-62-31-64-35)50(79)70-42(29-75)51(80)65-37(15-9-20-63-58(60)61)48(77)71-46(33(3)4)56(85)73-22-11-17-44(73)53(82)69-41(26-34-13-7-6-8-14-34)55(84)74-23-12-18-45(74)57(86)87/h6-8,13-14,28,31-33,36-46,75,88H,9-12,15-27,29-30,59H2,1-5H3,(H,62,64)(H,65,80)(H,66,76)(H,67,78)(H,68,81)(H,69,82)(H,70,79)(H,71,77)(H,86,87)(H4,60,61,63)/t36?,37?,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
    MOLECULAR FORMULA
    C58H90N16O13S2
    CROSS REFERENCES
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    canSAR2079908
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1282.63
    AlogP-2.39
    HBond donors16
    HBond acceptors29
    Atoms179
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079908.