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canSAR1094760
FEATURES
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NAMES
    SMILES
    C=C(NC(=O)c1csc(-c2nc3c(cc2OC)-c2nc(cs2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N/C(=C(\C)OC)c2nc(cs2)C(=O)N[C@@H]2c4nc(cs4)C(=O)N[C@@H](COC(=O)c4c5c6c(cccc6n4O)COC(=O)[C@@H](O[C@H]4C[C@](C)(O)[C@H](N(C)C)[C@H](C)O4)[C@H]2OC5)c2nc-3cs2)n1)C(N)=O
    InChI
    InChI=1S/C62H62N14O18S5/c1-23(49(63)78)64-50(79)32-20-98-58(69-32)43-37(89-9)13-28-42(71-43)31-18-96-56(66-31)30-17-92-60(84)45-29-16-90-46(47(94-38-14-62(5,86)48(75(6)7)26(4)93-38)61(85)91-15-27-11-10-12-36(39(27)29)76(45)87)44(59-70-33(21-99-59)51(80)65-30)74-53(82)35-22-97-57(68-35)41(25(3)88-8)73-54(83)40(24(2)77)72-52(81)34-19-95-55(28)67-34/h10-13,18-22,24,26,30,38,40,44,46-48,77,86-87H,1,14-17H2,2-9H3,(H2,63,78)(H,64,79)(H,65,80)(H,72,81)(H,73,83)(H,74,82)/b41-25+/t24-,26+,30+,38+,40+,44+,46+,47+,48-,62+/m1/s1
    MOLECULAR FORMULA
    C62H62N14O18S5
    CROSS REFERENCES
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    canSAR1094760

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1450.30
    AlogP 4.19
    HBond donors 10
    HBond acceptors 32
    Atoms 161
    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 canSAR1094760.