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canSAR1270568
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]([C@H](C)c2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
    InChI
    InChI=1S/C51H71N15O9/c1-4-5-17-37(60-30(3)67)45(70)65-41-25-42(68)56-21-12-11-19-36(44(52)69)61-47(72)39(23-32-26-58-35-18-10-9-16-34(32)35)63-46(71)38(20-13-22-57-51(53)54)62-50(75)43(29(2)31-14-7-6-8-15-31)66-49(74)40(64-48(41)73)24-33-27-55-28-59-33/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25H2,1-3H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,72)(H,62,75)(H,63,71)(H,64,73)(H,65,70)(H,66,74)(H4,53,54,57)/t29-,36+,37+,38+,39+,40+,41+,43-/m1/s1
    MOLECULAR FORMULA
    C51H71N15O9
    CROSS REFERENCES
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    canSAR1270568

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1037.56
    AlogP -0.69
    HBond donors 16
    HBond acceptors 24
    Atoms 146
    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 canSAR1270568.