canSAR1088721
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](CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1)C(=O)O
    InChI
    InChI=1S/C73H118N22O19/c1-5-44(4)62(75)69(111)90-55(38-57(74)98)70(112)95-26-10-14-56(95)68(110)87-51(71(113)114)11-6-7-23-81-58(99)39-91-27-28-92(30-32-94(42-61(103)104)34-33-93(31-29-91)41-60(101)102)40-59(100)84-54(37-46-17-21-48(97)22-18-46)67(109)86-50(13-9-25-83-73(79)80)65(107)89-53(35-43(2)3)66(108)85-49(12-8-24-82-72(77)78)64(106)88-52(63(76)105)36-45-15-19-47(96)20-16-45/h15-22,43-44,49-56,62,96-97H,5-14,23-42,75H2,1-4H3,(H2,74,98)(H2,76,105)(H,81,99)(H,84,100)(H,85,108)(H,86,109)(H,87,110)(H,88,106)(H,89,107)(H,90,111)(H,101,102)(H,103,104)(H,113,114)(H4,77,78,82)(H4,79,80,83)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,62-/m0/s1
    MOLECULAR FORMULA
    C73H118N22O19
    CROSS REFERENCES
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    canSAR1088721
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1606.89
    AlogP-5.66
    HBond donors27
    HBond acceptors41
    Atoms232
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1088721.