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canSAR1141242
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)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)C)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/C66H120N12O12S/c1-27-29-30-43(15)54(79)53-58(83)69-46(28-2)60(85)78(26)66(91-32-31-71(18)19)65(90)73(21)48(34-38(5)6)57(82)70-51(41(11)12)63(88)72(20)47(33-37(3)4)56(81)67-44(16)55(80)68-45(17)59(84)74(22)49(35-39(7)8)61(86)75(23)50(36-40(9)10)62(87)76(24)52(42(13)14)64(89)77(53)25/h27,29,37-54,66,79H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t43-,44+,45-,46+,47+,48+,49+,50+,51+,52+,53+,54-,66-/m1/s1
    MOLECULAR FORMULA
    C66H120N12O12S
    CROSS REFERENCES
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    canSAR1141242

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1304.89
    AlogP 3.89
    HBond donors 5
    HBond acceptors 24
    Atoms 211
    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 canSAR1141242.