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canSAR992122
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H]1C(=O)N(C)[C@@H]([C@H](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)N(C)[C@H](CC(=O)NC(COCc2ccccc2)C(C)C)C(=O)N1C
    InChI
    InChI=1S/C69H108N10O14/c1-20-44(11)59-61(82)70-37-55(81)75(15)57(42(7)8)62(83)72-50(35-47-30-32-49(91-19)33-31-47)69(90)93-46(13)64(85)79-34-26-25-29-52(79)65(86)76(16)58(43(9)10)63(84)73-56(41(5)6)67(88)74(14)53(66(87)78(18)60(45(12)21-2)68(89)77(59)17)36-54(80)71-51(40(3)4)39-92-38-48-27-23-22-24-28-48/h22-24,27-28,30-33,40-46,50-53,56-60H,20-21,25-26,29,34-39H2,1-19H3,(H,70,82)(H,71,80)(H,72,83)(H,73,84)/t44-,45+,46-,50+,51?,52+,53-,56+,57+,58+,59+,60+/m1/s1
    MOLECULAR FORMULA
    C69H108N10O14
    CROSS REFERENCES
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    canSAR992122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1300.80
    AlogP 4.59
    HBond donors 4
    HBond acceptors 24
    Atoms 201
    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 canSAR992122.