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canSAR831343
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)NCCCOC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)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/C70H78N14O24S5/c1-26(56(91)71-13-10-14-102-69-52(90)51(89)50(88)41(17-85)107-69)72-57(92)35-23-112-65(77-35)47-40(87)15-31-46(79-47)34-21-110-63(74-34)33-20-105-67(97)49-32-19-103-53(54(108-42-16-70(5,99)55(83(6)7)29(4)106-42)68(98)104-18-30-11-9-12-39(43(30)32)84(49)100)48(66-78-36(24-113-66)58(93)73-33)82-60(95)38-25-111-64(76-38)45(28(3)101-8)81-61(96)44(27(2)86)80-59(94)37-22-109-62(31)75-37/h9,11-12,15,21-27,29,33,41-42,44,48,50-55,69,85-90,99-100H,10,13-14,16-20H2,1-8H3,(H,71,91)(H,72,92)(H,73,93)(H,80,94)(H,81,96)(H,82,95)/b45-28+/t26-,27+,29-,33-,41+,42-,44-,48-,50+,51-,52+,53-,54-,55+,69?,70-/m0/s1
    MOLECULAR FORMULA
    C70H78N14O24S5
    CROSS REFERENCES
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    canSAR831343

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1658.39
    AlogP 1.60
    HBond donors 14
    HBond acceptors 38
    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 canSAR831343.