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canSAR656040
FEATURES
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NAMES
    SMILES
    CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCNc4cc(NC(=O)c5cc(NC(=O)c6cc(NC(=O)CCNc7cc(NC(=O)c8cc(NC(=O)c9cc(NC(=O)CCNc%10cc(NC(=O)c%11cc(NC(=O)c%12cc(NC(=O)CCNc%13cc(NC(=O)c%14cc(NC(=O)c%15cc(NC(=O)CCNc%16cc(NC(=O)c%17cc(NC(=O)c%18cc(NC(=O)CCNC(=S)Nc%19ccc(-c%20c%21ccc(=O)cc-%21oc%21cc(O)ccc%20%21)c(C(=O)O)c%19)cn%18C)cn%17C)cn%16C)cn%15C)cn%14C)cn%13C)cn%12C)cn%11C)cn%10C)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C
    InChI
    InChI=1S/C147H163N45O24S/c1-174(2)41-21-34-153-133(201)106-49-88(69-175(106)3)161-140(208)113-50-89(70-182(113)10)162-134(202)107-43-82(63-176(107)4)155-126(195)28-35-148-121-56-95(76-188(121)16)168-141(209)114-51-90(71-183(114)11)163-135(203)108-44-83(64-177(108)5)156-127(196)29-36-149-122-57-96(77-189(122)17)169-142(210)115-52-91(72-184(115)12)164-136(204)109-45-84(65-178(109)6)157-128(197)30-37-150-123-58-97(78-190(123)18)170-143(211)116-53-92(73-185(116)13)165-137(205)110-46-85(66-179(110)7)158-129(198)31-38-151-124-59-98(79-191(124)19)171-144(212)117-54-93(74-186(117)14)166-138(206)111-47-86(67-180(111)8)159-130(199)32-39-152-125-60-99(80-192(125)20)172-145(213)118-55-94(75-187(118)15)167-139(207)112-48-87(68-181(112)9)160-131(200)33-40-154-147(217)173-81-22-25-102(105(42-81)146(214)215)132-103-26-23-100(193)61-119(103)216-120-62-101(194)24-27-104(120)132/h22-27,42-80,148-152,193H,21,28-41H2,1-20H3,(H,153,201)(H,155,195)(H,156,196)(H,157,197)(H,158,198)(H,159,199)(H,160,200)(H,161,208)(H,162,202)(H,163,203)(H,164,204)(H,165,205)(H,166,206)(H,167,207)(H,168,209)(H,169,210)(H,170,211)(H,171,212)(H,172,213)(H,214,215)(H2,154,173,217)
    MOLECULAR FORMULA
    C147H163N45O24S
    CROSS REFERENCES
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    canSAR656040

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 2974.26
    AlogP 15.29
    HBond donors 28
    HBond acceptors 69
    Atoms 380
    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 canSAR656040.