canSAR1830220
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC1=O
    InChI
    InChI=1S/C50H75N17O9/c1-29(68)61-35(19-11-23-58-49(53)54)43(71)67-40-27-41(69)57-22-10-8-17-34(42(52)70)62-47(75)39(26-31-28-60-33-16-6-5-15-32(31)33)66-45(73)37(20-12-24-59-50(55)56)64-46(74)38(25-30-13-3-2-4-14-30)65-44(72)36(63-48(40)76)18-7-9-21-51/h2-6,13-16,28,34-40,60H,7-12,17-27,51H2,1H3,(H2,52,70)(H,57,69)(H,61,68)(H,62,75)(H,63,76)(H,64,74)(H,65,72)(H,66,73)(H,67,71)(H4,53,54,58)(H4,55,56,59)/t34-,35-,36-,37-,38+,39-,40-/m0/s1
    MOLECULAR FORMULA
    C50H75N17O9
    CROSS REFERENCES
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    canSAR1830220
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1057.59
    AlogP-2.80
    HBond donors21
    HBond acceptors26
    Atoms151
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1830220.