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canSAR1144987
FEATURES
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NAMES
    SMILES
    C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC2CC2)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
    InChI
    InChI=1S/C62H109N11O12/c1-23-25-26-39(13)52(75)51-56(79)65-43(24-2)58(81)67(16)33-48(74)68(17)45(32-42-27-28-42)55(78)66-49(37(9)10)61(84)69(18)44(29-34(3)4)54(77)63-40(14)53(76)64-41(15)57(80)70(19)46(30-35(5)6)59(82)71(20)47(31-36(7)8)60(83)72(21)50(38(11)12)62(85)73(51)22/h23,25,34-47,49-52,75H,24,26-33H2,1-22H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b25-23+/t39-,40+,41-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
    MOLECULAR FORMULA
    C62H109N11O12
    CROSS REFERENCES
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    canSAR1144987

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1199.83
    AlogP 3.02
    HBond donors 5
    HBond acceptors 23
    Atoms 194
    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 canSAR1144987.