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canSAR163580
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](C)CC
    InChI
    InChI=1S/C58H92N16O13/c1-8-32(5)46(60)53(83)71-42(30-45(59)77)55(85)74-26-12-15-44(74)52(82)73-47(33(6)9-2)54(84)70-41(28-34-16-20-36(75)21-17-34)51(81)68-38(13-10-24-65-57(61)62)48(78)69-40(27-31(3)4)50(80)67-39(14-11-25-66-58(63)64)49(79)72-43(56(86)87-7)29-35-18-22-37(76)23-19-35/h16-23,31-33,38-44,46-47,75-76H,8-15,24-30,60H2,1-7H3,(H2,59,77)(H,67,80)(H,68,81)(H,69,78)(H,70,84)(H,71,83)(H,72,79)(H,73,82)(H4,61,62,65)(H4,63,64,66)/t32-,33-,38-,39-,40-,41-,42-,43-,44-,46-,47-/m0/s1
    MOLECULAR FORMULA
    C58H92N16O13
    CROSS REFERENCES
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    canSAR163580

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1220.70
    AlogP -2.11
    HBond donors 21
    HBond acceptors 29
    Atoms 179
    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 canSAR163580.