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canSAR833072
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)C(N)C(C)(C)SSC[C@H](C(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
    InChI
    InChI=1S/C60H99N15O18S2/c1-10-31(6)46-56(89)71-38(24-33-17-19-34(77)20-18-33)52(85)69-40(26-44(80)81)54(87)75-47(32(7)76)57(90)67-35(15-11-13-21-61)49(82)65-27-43(79)66-36(16-12-14-22-62)50(83)68-39(25-42(63)78)53(86)73-45(30(4)5)55(88)70-37(23-29(2)3)51(84)72-41(59(92)93)28-94-95-60(8,9)48(64)58(91)74-46/h17-20,29-32,35-41,45-48,76-77H,10-16,21-28,61-62,64H2,1-9H3,(H2,63,78)(H,65,82)(H,66,79)(H,67,90)(H,68,83)(H,69,85)(H,70,88)(H,71,89)(H,72,84)(H,73,86)(H,74,91)(H,75,87)(H,80,81)(H,92,93)/t31-,32+,35-,36-,37+,38+,39+,40-,41+,45-,46-,47+,48?/m0/s1
    MOLECULAR FORMULA
    C60H99N15O18S2
    CROSS REFERENCES
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    canSAR833072

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1381.67
    AlogP -3.78
    HBond donors 23
    HBond acceptors 33
    Atoms 194
    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 canSAR833072.