canSAR634826
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(C)(C)SC)C(N)=O
    InChI
    InChI=1S/C48H73N15O11S2/c1-24(2)16-33(45(72)59-31(40(52)67)14-15-75-6)61-46(73)35(18-27-21-53-23-56-27)58-38(66)22-55-47(74)39(48(4,5)76-7)63-41(68)25(3)57-44(71)34(17-26-20-54-30-11-9-8-10-28(26)30)62-43(70)32(12-13-36(50)64)60-42(69)29(49)19-37(51)65/h8-11,20-21,23-25,29,31-35,39,54H,12-19,22,49H2,1-7H3,(H2,50,64)(H2,51,65)(H2,52,67)(H,53,56)(H,55,74)(H,57,71)(H,58,66)(H,59,72)(H,60,69)(H,61,73)(H,62,70)(H,63,68)/t25-,29+,31+,32-,33+,34+,35+,39-/m1/s1
    MOLECULAR FORMULA
    C48H73N15O11S2
    CROSS REFERENCES
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    canSAR634826
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1099.51
    AlogP-2.90
    HBond donors18
    HBond acceptors26
    Atoms149
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR634826.