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canSAR779116
FEATURES
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NAMES
    SMILES
    CC(=O)NCC[C@H](NC(=O)CCCCC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCN)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/C57H98N16O14/c1-31(2)13-11-12-16-45(77)64-41(21-27-62-35(7)76)53(83)73-47(34(6)75)57(87)69-39(19-25-60)49(79)68-42-22-28-63-56(86)46(33(5)74)72-52(82)40(20-26-61)66-48(78)37(17-23-58)67-54(84)43(29-32(3)4)70-55(85)44(30-36-14-9-8-10-15-36)71-50(80)38(18-24-59)65-51(42)81/h8-10,14-15,31-34,37-44,46-47,74-75H,11-13,16-30,58-61H2,1-7H3,(H,62,76)(H,63,86)(H,64,77)(H,65,81)(H,66,78)(H,67,84)(H,68,79)(H,69,87)(H,70,85)(H,71,80)(H,72,82)(H,73,83)/t33-,34-,37+,38+,39+,40-,41+,42+,43+,44-,46+,47+/m1/s1
    MOLECULAR FORMULA
    C57H98N16O14
    CROSS REFERENCES
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    canSAR779116

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1230.74
    AlogP -5.46
    HBond donors 22
    HBond acceptors 30
    Atoms 185
    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 canSAR779116.