canSAR1847022
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC1=NCN(C)C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O
    InChI
    InChI=1S/C41H73N15O12S/c1-22(2)16-29(35(62)48-19-32(58)50-28(40(67)68)9-7-14-47-41(45)46)54-37(64)26(10-11-31(44)57)52-38(65)27(12-15-69-4)53-39(66)30(18-33(59)60)55-36(63)25(8-5-6-13-42)51-34(61)24(43)17-23-20-56(3)21-49-23/h22,24-30H,5-21,42-43H2,1-4H3,(H2,44,57)(H,48,62)(H,50,58)(H,51,61)(H,52,65)(H,53,66)(H,54,64)(H,55,63)(H,59,60)(H,67,68)(H4,45,46,47)/t24-,25-,26-,27-,28-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C41H73N15O12S
    CROSS REFERENCES
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    canSAR1847022
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight999.53
    AlogP-4.91
    HBond donors19
    HBond acceptors27
    Atoms142
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1847022.