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canSAR1128406
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@H](C)c2c(C)cc(OC)cc2C)NC(=O)[C@H](N)C(C)(C)SSC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(=O)NCCCC[C@H](C(=O)NCC(N)=O)NC(=O)[C@H]3CCCN3C2=O)NC1=O
    InChI
    InChI=1S/C49H76N12O12S2/c1-9-24(2)38-45(69)56-30-15-16-36(64)53-17-11-10-13-29(41(65)54-22-35(51)63)55-44(68)33-14-12-18-61(33)48(72)32(58-43(67)31(21-34(50)62)57-42(30)66)23-74-75-49(6,7)40(52)47(71)60-39(46(70)59-38)27(5)37-25(3)19-28(73-8)20-26(37)4/h19-20,24,27,29-33,38-40H,9-18,21-23,52H2,1-8H3,(H2,50,62)(H2,51,63)(H,53,64)(H,54,65)(H,55,68)(H,56,69)(H,57,66)(H,58,67)(H,59,70)(H,60,71)/t24-,27+,29+,30+,31+,32-,33+,38-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C49H76N12O12S2
    CROSS REFERENCES
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    canSAR1128406

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1088.51
    AlogP -1.58
    HBond donors 14
    HBond acceptors 24
    Atoms 151
    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 canSAR1128406.