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canSAR65454
FEATURES
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NAMES
    SMILES
    CCC(C)[C@H]1C(=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)N(C)[C@H](CC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)N(C)[C@@H](C(C)CC)C(=O)N1C
    InChI
    InChI=1S/C67H105N9O14/c1-18-40(9)56-58(79)68-36-51(77)72(13)54(38(5)6)59(80)69-48(31-43-23-25-47(88-17)26-24-43)66(87)89-42(11)61(82)76-27-21-20-22-49(76)62(83)73(14)55(39(7)8)60(81)70-53(37(3)4)64(85)71(12)50(63(84)75(16)57(41(10)19-2)65(86)74(56)15)32-52(78)90-67-33-44-28-45(34-67)30-46(29-44)35-67/h23-26,37-42,44-46,48-50,53-57H,18-22,27-36H2,1-17H3,(H,68,79)(H,69,80)(H,70,81)/t40?,41?,42-,44?,45?,46?,48+,49+,50-,53+,54+,55+,56+,57+,67?/m1/s1
    MOLECULAR FORMULA
    C67H105N9O14
    CROSS REFERENCES
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    canSAR65454

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1259.78
    AlogP 4.75
    HBond donors 3
    HBond acceptors 23
    Atoms 195
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR65454.