canSAR824426
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](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O
    InChI
    InChI=1S/C50H66N12O10/c1-4-5-12-37(55-29(2)63)45(67)58-39-26-43(65)53-20-9-8-14-36(44(51)66)57-46(68)38(24-32-23-31-11-6-7-13-35(31)56-32)59-48(70)41-15-10-21-62(41)50(72)42(22-30-16-18-34(64)19-17-30)61(3)49(71)40(60-47(39)69)25-33-27-52-28-54-33/h6-7,11,13,16-19,23,27-28,36-42,56,64H,4-5,8-10,12,14-15,20-22,24-26H2,1-3H3,(H2,51,66)(H,52,54)(H,53,65)(H,55,63)(H,57,68)(H,58,67)(H,59,70)(H,60,69)/t36-,37-,38-,39-,40-,41-,42+/m0/s1
    MOLECULAR FORMULA
    C50H66N12O10
    CROSS REFERENCES
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    canSAR824426
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight994.50
    AlogP0.25
    HBond donors11
    HBond acceptors22
    Atoms138
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824426.