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canSAR467831
FEATURES
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NAMES
    SMILES
    CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)CC)NC(=O)CC(C2CCCC2)(C2CCCC2)SSC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O
    InChI
    InChI=1S/C54H84N12O11S2/c1-5-31(3)44-50(75)61-37(26-33-16-8-7-9-17-33)48(73)65-45(32(4)6-2)51(76)62-38(27-41(55)67)47(72)63-39(30-78-79-54(28-42(68)64-44,34-18-10-11-19-34)35-20-12-13-21-35)52(77)66-25-15-23-40(66)49(74)60-36(22-14-24-58-53(56)57)46(71)59-29-43(69)70/h7-9,16-17,31-32,34-40,44-45H,5-6,10-15,18-30H2,1-4H3,(H2,55,67)(H,59,71)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,68)(H,65,73)(H,69,70)(H4,56,57,58)/t31?,32?,36-,37-,38-,39-,40+,44+,45?/m0/s1
    MOLECULAR FORMULA
    C54H84N12O11S2
    CROSS REFERENCES
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    canSAR467831

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1140.58
    AlogP 1.26
    HBond donors 14
    HBond acceptors 23
    Atoms 163
    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 canSAR467831.