canSAR2065589
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)C(N)=O)C(C)C
    InChI
    InChI=1S/C50H89N15O10S/c1-26(2)23-31(51)44(70)63-39(28(5)6)47(73)60-33(16-13-21-56-49(53)54)48(74)65-22-14-17-36(65)46(72)58-29(7)42(68)57-30(8)43(69)61-34(24-27(3)4)45(71)59-32(41(52)67)15-11-12-20-55-38(66)19-10-9-18-37-40-35(25-76-37)62-50(75)64-40/h26-37,39-40H,9-25,51H2,1-8H3,(H2,52,67)(H,55,66)(H,57,68)(H,58,72)(H,59,71)(H,60,73)(H,61,69)(H,63,70)(H4,53,54,56)(H2,62,64,75)/t29-,30-,31-,32-,33-,34-,35+,36-,37-,39-,40+/m0/s1
    MOLECULAR FORMULA
    C50H89N15O10S
    CROSS REFERENCES
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    canSAR2065589
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1091.66
    AlogP-1.24
    HBond donors17
    HBond acceptors25
    Atoms165
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2065589.