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canSAR1127128
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2ccccc2)cc1C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
    InChI
    InChI=1S/C60H90N16O14/c1-32(2)28-44-56(85)70-39(18-23-61)51(80)69-42(21-26-64)55(84)75-48(33(3)77)59(88)66-27-22-43(53(82)68-40(19-24-62)52(81)73-45(57(86)72-44)29-35-12-8-6-9-13-35)71-58(87)46(31-65)74-60(89)49(34(4)78)76-54(83)41(20-25-63)67-50(79)38-30-37(16-17-47(38)90-5)36-14-10-7-11-15-36/h6-17,30,32-34,39-46,48-49,77-78H,18-29,31,61-65H2,1-5H3,(H,66,88)(H,67,79)(H,68,82)(H,69,80)(H,70,85)(H,71,87)(H,72,86)(H,73,81)(H,74,89)(H,75,84)(H,76,83)/t33-,34-,39+,40+,41+,42+,43+,44+,45-,46+,48+,49+/m1/s1
    MOLECULAR FORMULA
    C60H90N16O14
    CROSS REFERENCES
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    canSAR1127128

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1258.68
    AlogP -5.25
    HBond donors 23
    HBond acceptors 30
    Atoms 180
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1127128.