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canSAR464069
FEATURES
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NAMES
    SMILES
    COc1ccc(C[C@H]2NC(=O)[C@H](NC(C)=O)CSSC[C@@H](C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1
    InChI
    InChI=1S/C49H69N15O13S2/c1-26(65)57-35-24-78-79-25-36(48(76)64-19-7-11-37(64)47(75)59-30(10-6-18-55-49(53)54)41(69)56-23-40(52)68)63-45(73)34(22-39(51)67)62-42(70)31(16-17-38(50)66)58-43(71)32(20-27-8-4-3-5-9-27)60-44(72)33(61-46(35)74)21-28-12-14-29(77-2)15-13-28/h3-5,8-9,12-15,30-37H,6-7,10-11,16-25H2,1-2H3,(H2,50,66)(H2,51,67)(H2,52,68)(H,56,69)(H,57,65)(H,58,71)(H,59,75)(H,60,72)(H,61,74)(H,62,70)(H,63,73)(H4,53,54,55)/t30-,31+,32-,33+,34-,35+,36-,37+/m0/s1
    MOLECULAR FORMULA
    C49H69N15O13S2
    CROSS REFERENCES
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    canSAR464069

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1139.46
    AlogP -4.92
    HBond donors 18
    HBond acceptors 28
    Atoms 148
    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 canSAR464069.