canSAR416420
FEATURES
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NAMES
    SMILES
    CCCCCCCCOC(=O)C[C@H]1C(=O)N(C)[C@@H](C(C)CC)C(=O)N(C)[C@@H](C(C)CC)C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)O[C@H](C)C(=O)N2CCCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C
    InChI
    InChI=1S/C65H107N9O14/c1-19-22-23-24-25-28-35-87-51(76)37-49-62(82)73(17)56(43(11)21-3)64(84)72(16)55(42(10)20-2)57(77)66-38-50(75)70(14)53(40(6)7)58(78)67-47(36-45-30-32-46(86-18)33-31-45)65(85)88-44(12)60(80)74-34-27-26-29-48(74)61(81)71(15)54(41(8)9)59(79)68-52(39(4)5)63(83)69(49)13/h30-33,39-44,47-49,52-56H,19-29,34-38H2,1-18H3,(H,66,77)(H,67,78)(H,68,79)/t42?,43?,44-,47+,48+,49+,52+,53+,54+,55+,56+/m1/s1
    MOLECULAR FORMULA
    C65H107N9O14
    CROSS REFERENCES
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    canSAR416420
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1237.79
    AlogP5.14
    HBond donors3
    HBond acceptors23
    Atoms195
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR416420.