canSAR163185
FEATURES
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NAMES
    SMILES
    CCC1(CC)CC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)CSS1
    InChI
    InChI=1S/C51H74N14O12S2/c1-4-51(5-2)26-42(69)59-34(24-30-15-17-31(77-3)18-16-30)45(72)62-35(23-29-11-7-6-8-12-29)46(73)60-33(19-20-39(52)66)44(71)63-36(25-40(53)67)47(74)64-37(28-78-79-51)49(76)65-22-10-14-38(65)48(75)61-32(13-9-21-57-50(55)56)43(70)58-27-41(54)68/h6-8,11-12,15-18,32-38H,4-5,9-10,13-14,19-28H2,1-3H3,(H2,52,66)(H2,53,67)(H2,54,68)(H,58,70)(H,59,69)(H,60,73)(H,61,75)(H,62,72)(H,63,71)(H,64,74)(H4,55,56,57)/t32-,33+,34+,35-,36?,37-,38+/m1/s1
    MOLECULAR FORMULA
    C51H74N14O12S2
    CROSS REFERENCES
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    canSAR163185
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1138.51
    AlogP-2.48
    HBond donors17
    HBond acceptors26
    Atoms153
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR163185.