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canSAR1141589
FEATURES
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NAMES
    SMILES
    COc1ccc(C[C@H]2NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(C)C)NC2=O)cc1
    InChI
    InChI=1S/C45H68N14O14S2/c1-22(2)15-27-39(67)58-31(37(47)65)20-74-75-21-32(52-23(3)60)42(70)57-30(17-34(46)61)44(72)59-14-6-8-33(59)43(71)54-26(7-5-13-50-45(48)49)38(66)51-19-35(62)53-29(18-36(63)64)41(69)56-28(40(68)55-27)16-24-9-11-25(73-4)12-10-24/h9-12,22,26-33H,5-8,13-21H2,1-4H3,(H2,46,61)(H2,47,65)(H,51,66)(H,52,60)(H,53,62)(H,54,71)(H,55,68)(H,56,69)(H,57,70)(H,58,67)(H,63,64)(H4,48,49,50)/t26-,27-,28+,29-,30-,31-,32-,33+/m0/s1
    MOLECULAR FORMULA
    C45H68N14O14S2
    CROSS REFERENCES
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    canSAR1141589

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1092.45
    AlogP -4.91
    HBond donors 17
    HBond acceptors 28
    Atoms 143
    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 canSAR1141589.