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canSAR1269172
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2cc(-c3cc4sc(-c5ccc6nc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)n(C)c6c5)cc4s3)ccc2[nH]1)C(C)C
    InChI
    InChI=1S/C45H54N8O6S2/c1-22(2)38(49-44(56)58-8)42(54)52-20-24(5)14-32(52)40-46-28-12-10-26(16-30(28)47-40)34-18-36-37(60-34)19-35(61-36)27-11-13-29-31(17-27)51(7)41(48-29)33-15-25(6)21-53(33)43(55)39(23(3)4)50-45(57)59-9/h10-13,16-19,22-25,32-33,38-39H,14-15,20-21H2,1-9H3,(H,46,47)(H,49,56)(H,50,57)/t24-,25-,32-,33-,38-,39-/m0/s1
    MOLECULAR FORMULA
    C45H54N8O6S2
    CROSS REFERENCES
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    canSAR1269172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 866.36
    AlogP 8.64
    HBond donors 3
    HBond acceptors 14
    Atoms 115
    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 canSAR1269172.