canSAR948321
FEATURES
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NAMES
    SMILES
    C[C@@H]1NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C49H60N14O8/c1-28-43(66)60-37(21-29-11-4-2-5-12-29)46(69)59-35(42(50)65)18-19-41(64)58-36(17-10-20-54-49(51)52)44(67)62-39(23-31-25-55-34-16-9-8-15-33(31)34)48(71)61-38(22-30-13-6-3-7-14-30)47(70)63-40(45(68)57-28)24-32-26-53-27-56-32/h2-9,11-16,25-28,35-40,55H,10,17-24H2,1H3,(H2,50,65)(H,53,56)(H,57,68)(H,58,64)(H,59,69)(H,60,66)(H,61,71)(H,62,67)(H,63,70)(H4,51,52,54)/t28-,35-,36-,37-,38-,39-,40+/m0/s1
    MOLECULAR FORMULA
    C49H60N14O8
    CROSS REFERENCES
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    canSAR948321
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight972.47
    AlogP-0.88
    HBond donors15
    HBond acceptors22
    Atoms131
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR948321.