canSAR2100812
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=O)NC1=O
    InChI
    InChI=1S/C49H71N15O10/c1-3-4-15-33(58-28(2)65)42(68)61-36-19-20-40(66)54-24-21-37(46(72)63-38(41(50)67)26-30-27-57-32-16-9-8-14-31(30)32)62-43(69)34(17-10-22-55-48(51)52)60-47(73)39(25-29-12-6-5-7-13-29)64-44(70)35(59-45(36)71)18-11-23-56-49(53)74/h5-9,12-14,16,27,33-39,57H,3-4,10-11,15,17-26H2,1-2H3,(H2,50,67)(H,54,66)(H,58,65)(H,59,71)(H,60,73)(H,61,68)(H,62,69)(H,63,72)(H,64,70)(H4,51,52,55)(H3,53,56,74)/t33-,34-,35-,36-,37-,38-,39+/m0/s1
    MOLECULAR FORMULA
    C49H71N15O10
    CROSS REFERENCES
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    canSAR2100812
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1029.55
    AlogP-1.95
    HBond donors18
    HBond acceptors25
    Atoms145
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100812.