canSAR1650544
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cccc(-c3ccc(NC(C)=O)cc3)c2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
    InChI
    InChI=1S/C68H99N9O12/c1-18-42(9)54-65(85)74(15)55(40(5)6)60(80)70-50(35-39(3)4)63(83)76(17)58(68(12,13)88)67(87)89-57(43(10)19-2)66(86)75(16)56(41(7)8)61(81)71-51(37-45-25-21-20-22-26-45)62(82)73(14)53(64(84)77-34-24-29-52(77)59(79)72-54)38-46-27-23-28-48(36-46)47-30-32-49(33-31-47)69-44(11)78/h20-23,25-28,30-33,36,39-43,50-58,88H,18-19,24,29,34-35,37-38H2,1-17H3,(H,69,78)(H,70,80)(H,71,81)(H,72,79)/t42-,43-,50-,51-,52-,53-,54-,55-,56-,57+,58+/m0/s1
    MOLECULAR FORMULA
    C68H99N9O12
    CROSS REFERENCES
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    canSAR1650544
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1233.74
    AlogP6.00
    HBond donors5
    HBond acceptors21
    Atoms188
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650544.