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canSAR785874
FEATURES
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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)N[C@@H](C)C(=O)NCCc4ccc(O)cc4)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/C69H70N14O19S5/c1-28(56(87)70-17-16-32-12-14-34(85)15-13-32)71-57(88)39-25-106-65(76-39)50-44(86)18-35-49(78-50)38-23-104-63(73-38)37-22-100-67(93)52-36-21-98-53(54(102-45-19-69(5,95)55(82(6)7)31(4)101-45)68(94)99-20-33-10-9-11-43(46(33)36)83(52)96)51(66-77-40(26-107-66)58(89)72-37)81-60(91)42-27-105-64(75-42)48(30(3)97-8)80-61(92)47(29(2)84)79-59(90)41-24-103-62(35)74-41/h9-15,18,23-29,31,37,45,47,51,53-55,84-86,95-96H,16-17,19-22H2,1-8H3,(H,70,87)(H,71,88)(H,72,89)(H,79,90)(H,80,92)(H,81,91)/b48-30+/t28-,29+,31-,37-,45-,47-,51-,53-,54-,55+,69-/m0/s1
    MOLECULAR FORMULA
    C69H70N14O19S5
    CROSS REFERENCES
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    canSAR785874

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1558.35
    AlogP 5.35
    HBond donors 11
    HBond acceptors 33
    Atoms 177
    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 canSAR785874.