canSAR108839
FEATURES
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NAMES
    SMILES
    CC(O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NCC1=O
    InChI
    InChI=1S/C39H52N8O7/c1-23-39(54)47-18-10-16-32(47)38(53)45-30(19-25-11-4-3-5-12-25)36(51)44-31(20-26-21-42-28-14-7-6-13-27(26)28)37(52)43-29(15-8-9-17-40)35(50)46-34(24(2)48)33(49)22-41-23/h3-7,11-14,21,23-24,29-32,34,41-42,48H,8-10,15-20,22,40H2,1-2H3,(H,43,52)(H,44,51)(H,45,53)(H,46,50)/t23-,24?,29-,30-,31+,32+,34+/m0/s1
    MOLECULAR FORMULA
    C39H52N8O7
    CROSS REFERENCES
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    canSAR108839
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight744.40
    AlogP-0.05
    HBond donors9
    HBond acceptors15
    Atoms106
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR108839.