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canSAR113131
FEATURES
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NAMES
    SMILES
    CCCO[C@H]1CC(C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N(C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CC(O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)c2cccs2)C1
    InChI
    InChI=1S/C57H87N19O14S/c1-2-21-90-34-25-42(53(87)74-27-32-11-4-3-10-31(32)23-40(74)48(82)70-37(54(88)89)14-7-19-67-57(63)64)76(29-34)51(85)38(30-77)71-49(83)45(43-16-9-22-91-43)72-44(79)26-68-47(81)41-24-33(78)28-75(41)52(86)39-15-8-20-73(39)50(84)36(13-6-18-66-56(61)62)69-46(80)35(58)12-5-17-65-55(59)60/h3-4,9-11,16,22,33-42,45,77-78H,2,5-8,12-15,17-21,23-30,58H2,1H3,(H,68,81)(H,69,80)(H,70,82)(H,71,83)(H,72,79)(H,88,89)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t33?,34-,35+,36-,37-,38-,39-,40?,41-,42?,45-/m0/s1
    MOLECULAR FORMULA
    C57H87N19O14S
    CROSS REFERENCES
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    canSAR113131

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1293.64
    AlogP -5.66
    HBond donors 22
    HBond acceptors 33
    Atoms 178
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR113131.