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canSAR1131555
FEATURES
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NAMES
    SMILES
    NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
    InChI
    InChI=1S/C47H68N14O11S2/c48-18-5-4-10-31-41(67)59-34(24-37(49)63)44(70)60-35(46(72)61-20-7-12-36(61)45(71)57-30(11-6-19-53-47(51)52)40(66)54-25-38(50)64)26-74-73-21-17-39(65)55-32(23-28-13-15-29(62)16-14-28)42(68)58-33(43(69)56-31)22-27-8-2-1-3-9-27/h1-3,8-9,13-16,30-36,62H,4-7,10-12,17-26,48H2,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,69)(H,57,71)(H,58,68)(H,59,67)(H,60,70)(H4,51,52,53)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C47H68N14O11S2
    CROSS REFERENCES
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    canSAR1131555

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1068.46
    AlogP -3.48
    HBond donors 18
    HBond acceptors 25
    Atoms 142
    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 canSAR1131555.