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canSAR834015
FEATURES
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NAMES
    SMILES
    CSCC[C@H](N)C(=O)NCC[C@@H]1NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC1=O
    InChI
    InChI=1S/C60H105N17O14S/c1-33(2)13-11-12-16-47(80)68-39(17-24-61)55(86)77-49(36(6)79)60(91)73-42(20-27-64)52(83)71-43-22-29-67-59(90)48(35(5)78)76-56(87)44(21-28-66-50(81)38(65)23-30-92-7)72-51(82)40(18-25-62)70-57(88)45(31-34(3)4)74-58(89)46(32-37-14-9-8-10-15-37)75-53(84)41(19-26-63)69-54(43)85/h8-10,14-15,33-36,38-46,48-49,78-79H,11-13,16-32,61-65H2,1-7H3,(H,66,81)(H,67,90)(H,68,80)(H,69,85)(H,70,88)(H,71,83)(H,72,82)(H,73,91)(H,74,89)(H,75,84)(H,76,87)(H,77,86)/t35-,36-,38+,39+,40+,41+,42+,43+,44+,45+,46-,48+,49+/m1/s1
    MOLECULAR FORMULA
    C60H105N17O14S
    CROSS REFERENCES
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    canSAR834015

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1319.77
    AlogP -5.40
    HBond donors 24
    HBond acceptors 31
    Atoms 197
    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 canSAR834015.