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canSAR101853
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O
    InChI
    InChI=1S/C42H67N11O15S2/c1-20(2)33(42(67)68)53-39(64)25(10-11-30(44)57)48-40(65)29(19-54)51-38(63)27(13-15-70-5)49-41(66)34(21(3)55)52-32(59)18-46-36(61)28(17-31(45)58)50-37(62)26(12-14-69-4)47-35(60)24(43)16-22-6-8-23(56)9-7-22/h6-9,20-21,24-29,33-34,54-56H,10-19,43H2,1-5H3,(H2,44,57)(H2,45,58)(H,46,61)(H,47,60)(H,48,65)(H,49,66)(H,50,62)(H,51,63)(H,52,59)(H,53,64)(H,67,68)/t21-,24+,25+,26+,27+,28+,29+,33+,34+/m1/s1
    MOLECULAR FORMULA
    C42H67N11O15S2
    CROSS REFERENCES
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    canSAR101853

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1029.43
    AlogP -5.47
    HBond donors 18
    HBond acceptors 26
    Atoms 137
    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 canSAR101853.