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canSAR46270
FEATURES
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NAMES
    SMILES
    CCCCC(NC(=O)C(CCCC)NC(=O)C(CCCC)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]cn1)NC(C)=O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O
    InChI
    InChI=1S/C44H76N14O12/c1-5-8-14-28(37(63)50-24-35(60)53-32(43(69)70)18-13-20-49-44(46)47)54-38(64)29(15-9-6-2)55-39(65)30(16-10-7-3)56-42(68)34(22-36(61)62)58-40(66)31(17-11-12-19-45)57-41(67)33(52-26(4)59)21-27-23-48-25-51-27/h23,25,28-34H,5-22,24,45H2,1-4H3,(H,48,51)(H,50,63)(H,52,59)(H,53,60)(H,54,64)(H,55,65)(H,56,68)(H,57,67)(H,58,66)(H,61,62)(H,69,70)(H4,46,47,49)
    MOLECULAR FORMULA
    C44H76N14O12
    CROSS REFERENCES
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    canSAR46270

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 992.58
    AlogP -2.21
    HBond donors 17
    HBond acceptors 26
    Atoms 146
    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 canSAR46270.