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canSAR984593
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)OCCC(C)(C)C)C(=O)N1C
    InChI
    InChI=1S/C63H103N9O14/c1-21-39(9)52-54(75)64-35-47(73)68(16)50(37(5)6)55(76)65-44(33-42-26-28-43(84-20)29-27-42)62(83)86-41(11)57(78)72-31-24-23-25-45(72)58(79)69(17)51(38(7)8)56(77)66-49(36(3)4)60(81)67(15)46(34-48(74)85-32-30-63(12,13)14)59(80)71(19)53(40(10)22-2)61(82)70(52)18/h26-29,36-41,44-46,49-53H,21-25,30-35H2,1-20H3,(H,64,75)(H,65,76)(H,66,77)/t39-,40+,41+,44+,45+,46-,49+,50+,51+,52+,53+/m1/s1
    MOLECULAR FORMULA
    C63H103N9O14
    CROSS REFERENCES
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    canSAR984593

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1209.76
    AlogP 4.21
    HBond donors 3
    HBond acceptors 23
    Atoms 189
    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 canSAR984593.