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canSAR2019170
FEATURES
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NAMES
    SMILES
    CSCCC1NC(=O)C(NC(=O)CCCCN=C(N)N)CSSCC(C(N)=O)NC(=O)CNC(=O)CNC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC1=O
    InChI
    InChI=1S/C49H81N17O12S3/c1-26(2)19-32-42(73)59-23-39(71)60-30(9-8-17-56-49(53)54)45(76)66-40(27(3)4)47(78)65-33(20-28-11-13-29(67)14-12-28)43(74)58-21-37(69)57-22-38(70)61-34(41(50)72)24-80-81-25-35(62-36(68)10-6-7-16-55-48(51)52)46(77)63-31(15-18-79-5)44(75)64-32/h11-14,26-27,30-35,40,67H,6-10,15-25H2,1-5H3,(H2,50,72)(H,57,69)(H,58,74)(H,59,73)(H,60,71)(H,61,70)(H,62,68)(H,63,77)(H,64,75)(H,65,78)(H,66,76)(H4,51,52,55)(H4,53,54,56)
    MOLECULAR FORMULA
    C49H81N17O12S3
    CROSS REFERENCES
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    canSAR2019170

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1195.54
    AlogP -4.49
    HBond donors 21
    HBond acceptors 29
    Atoms 162
    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 canSAR2019170.