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canSAR1129863
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(F)F)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)c1ccc(N)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O
    InChI
    InChI=1S/C47H70F2N12O11/c1-25(38(62)53-26(2)39(63)55-28(4)41(65)59-34(47(71)72)16-10-12-22-51)54-40(64)27(3)57-45(69)35(23-30-13-7-6-8-14-30)61-46(70)36(24-37(48)49)60-42(66)29(5)56-44(68)33(15-9-11-21-50)58-43(67)31-17-19-32(52)20-18-31/h6-8,13-14,17-20,25-29,33-37H,9-12,15-16,21-24,50-52H2,1-5H3,(H,53,62)(H,54,64)(H,55,63)(H,56,68)(H,57,69)(H,58,67)(H,59,65)(H,60,66)(H,61,70)(H,71,72)/t25-,26-,27-,28-,29-,33-,34-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C47H70F2N12O11
    CROSS REFERENCES
    1129863 logo

    canSAR1129863

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1016.53
    AlogP -1.41
    HBond donors 16
    HBond acceptors 23
    Atoms 142
    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 canSAR1129863.