canSAR819334
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C40H64N16O11S/c1-20(57)32(56-36(64)25(51-30(59)17-41)10-6-13-48-40(45)46)37(65)53-26(11-14-68-2)35(63)54-27(16-29(42)58)33(61)50-19-31(60)52-24(9-5-12-47-39(43)44)34(62)55-28(38(66)67)15-21-18-49-23-8-4-3-7-22(21)23/h3-4,7-8,18,20,24-28,32,49,57H,5-6,9-17,19,41H2,1-2H3,(H2,42,58)(H,50,61)(H,51,59)(H,52,60)(H,53,65)(H,54,63)(H,55,62)(H,56,64)(H,66,67)(H4,43,44,47)(H4,45,46,48)/t20-,24+,25+,26+,27+,28+,32+/m1/s1
    MOLECULAR FORMULA
    C40H64N16O11S
    CROSS REFERENCES
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    canSAR819334
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight976.47
    AlogP-5.69
    HBond donors22
    HBond acceptors27
    Atoms132
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819334.