canSAR2060638
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc(CN2CCNCC2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C51H70N12O9/c1-32(2)27-38(58-45(66)37(15-9-21-56-51(53)54)57-44(65)36-19-17-35(18-20-36)31-62-25-22-55-23-26-62)46(67)60-40(30-43(52)64)49(70)63-24-10-16-42(63)48(69)59-39(28-33-11-5-3-6-12-33)47(68)61-41(50(71)72)29-34-13-7-4-8-14-34/h3-8,11-14,17-20,32,37-42,55H,9-10,15-16,21-31H2,1-2H3,(H2,52,64)(H,57,65)(H,58,66)(H,59,69)(H,60,67)(H,61,68)(H,71,72)(H4,53,54,56)/t37-,38-,39+,40-,41-,42+/m0/s1
    MOLECULAR FORMULA
    C51H70N12O9
    CROSS REFERENCES
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    canSAR2060638
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight994.54
    AlogP-0.12
    HBond donors13
    HBond acceptors21
    Atoms142
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2060638.