canSAR949015
FEATURES
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NAMES
    SMILES
    Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@@H](C)OC(C)(C)C)C(=O)O)c(C)c2c1OC(C)(C)C2
    InChI
    InChI=1S/C52H71N9O11S/c1-28-29(2)44(30(3)35-27-52(8,9)72-43(28)35)73(69,70)60-50(54)55-25-15-22-38(49(67)68)58-46(64)39-23-16-26-61(39)48(66)37(21-12-13-24-53)57-47(65)40(31(4)71-51(5,6)7)59-45(63)34-19-14-18-33-41(34)56-36-20-11-10-17-32(36)42(33)62/h10-11,14,17-20,31,37-40H,12-13,15-16,21-27,53H2,1-9H3,(H,56,62)(H,57,65)(H,58,64)(H,59,63)(H,67,68)(H3,54,55,60)/t31-,37+,38+,39+,40+/m1/s1
    MOLECULAR FORMULA
    C52H71N9O11S
    CROSS REFERENCES
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    canSAR949015
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1029.50
    AlogP4.08
    HBond donors10
    HBond acceptors20
    Atoms144
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR949015.