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canSAR651767
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](CCCCNC(=O)/C=C/c1ccco1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(N)=O
    InChI
    InChI=1S/C68H116N18O12S/c1-44(2)20-14-21-45(3)22-15-23-46(4)24-16-25-47(5)34-41-99-43-57(59(71)90)86-65(96)55(31-18-39-78-68(74)75)83-63(94)54(30-17-38-77-67(72)73)84-66(97)56(42-87)85-64(95)53(28-9-12-36-70)82-62(93)52(27-8-11-35-69)81-60(91)48(6)79-61(92)51(80-49(7)88)29-10-13-37-76-58(89)33-32-50-26-19-40-98-50/h19-20,22,24,26,32-34,40,48,51-57,87H,8-18,21,23,25,27-31,35-39,41-43,69-70H2,1-7H3,(H2,71,90)(H,76,89)(H,79,92)(H,80,88)(H,81,91)(H,82,93)(H,83,94)(H,84,97)(H,85,95)(H,86,96)(H4,72,73,77)(H4,74,75,78)/b33-32+,45-22+,46-24+,47-34+/t48-,51-,52-,53-,54-,55-,56-,57-/m0/s1
    MOLECULAR FORMULA
    C68H116N18O12S
    CROSS REFERENCES
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    canSAR651767

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1408.87
    AlogP 1.64
    HBond donors 24
    HBond acceptors 30
    Atoms 215
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR651767.