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canSAR781736
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NAMES
    SMILES
    CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NC(CNCCOCCOCCOCCN)C(N)=O)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2
    InChI
    InChI=1S/C69H80N16O21S5/c1-30(86)47-61(93)82-48(31(2)98-7)64-77-42(29-109-64)60(92)83-51-53-54(106-45-20-69(4,96)55(84(5)6)32(3)105-45)68(95)103-22-33-9-8-10-43-46(33)35(23-102-53)52(85(43)97)67(94)104-24-37(74-58(90)40-28-111-66(51)79-40)63-75-38(25-108-63)49-34(62-76-41(26-107-62)59(91)81-47)19-44(87)50(80-49)65-78-39(27-110-65)57(89)73-36(56(71)88)21-72-12-14-100-16-18-101-17-15-99-13-11-70/h8-10,19,25-30,32,36-37,45,47,51,53-55,72,86-87,96-97H,11-18,20-24,70H2,1-7H3,(H2,71,88)(H,73,89)(H,74,90)(H,81,91)(H,82,93)(H,83,92)/b48-31+/t30-,32+,36?,37+,45+,47+,51+,53+,54+,55-,69+/m1/s1
    MOLECULAR FORMULA
    C69H80N16O21S5
    CROSS REFERENCES
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    canSAR781736

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1628.43
    AlogP 2.34
    HBond donors 14
    HBond acceptors 37
    Atoms 191
    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 canSAR781736.