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canSAR144375
FEATURES
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NAMES
    SMILES
    N[C@H]1C(=O)NC2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C/C3=N\C(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(OC2OC(CO)C(O)C(O)C2O)cc(O)cc1[C@@H](C(=O)O)NC3=O
    InChI
    InChI=1S/C64H53Cl2N7O22/c65-34-9-23-1-7-40(34)92-44-17-28-18-45(53(44)79)93-41-8-2-24(10-35(41)66)12-37-58(84)73-52(63(89)90)33-20-30(76)21-43(94-64-56(82)55(81)54(80)46(22-74)95-64)47(33)32-15-26(4-5-38(32)77)49(60(86)69-37)71-62(88)51(28)72-61(87)50-27-13-29(75)19-31(14-27)91-42-16-25(3-6-39(42)78)48(67)59(85)68-36(11-23)57(83)70-50/h1-10,13-21,36,46,48-52,54-56,64,74-82H,11-12,22,67H2,(H,68,85)(H,70,83)(H,71,88)(H,72,87)(H,73,84)(H,89,90)/b69-37+/t36?,46?,48-,49?,50?,51?,52+,54?,55?,56?,64?/m1/s1
    MOLECULAR FORMULA
    C64H53Cl2N7O22
    CROSS REFERENCES
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    canSAR144375

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1341.26
    AlogP 3.45
    HBond donors 17
    HBond acceptors 29
    Atoms 148
    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 canSAR144375.