canSAR2096362
FEATURES
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NAMES
    SMILES
    CCCCC(NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(C)=O)C(C)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC1CCC(=O)NCCCCC(C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(=O)O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(N)=O)C(C)CC)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(C)NC1=O
    InChI
    InChI=1S/C179H298N52O49/c1-29-32-46-106(207-157(263)116(57-64-135(240)241)215-161(267)123(75-91(10)11)225-171(277)139(95(18)19)227-158(264)117(58-65-136(242)243)214-152(258)112(52-43-71-196-177(189)190)211-160(266)121(73-89(6)7)220-162(268)122(74-90(8)9)221-165(271)127(79-105-85-192-87-198-105)223-163(269)125(77-103-44-35-34-36-45-103)226-172(278)141(101(25)232)228-168(274)124(76-92(12)13)222-167(273)129(81-138(246)247)203-102(26)233)147(253)199-97(21)143(249)204-110(50-41-69-194-175(185)186)148(254)200-98(22)144(250)206-115(56-63-134(238)239)156(262)216-118(54-61-131(182)235)169(275)230-178(27,82-93(14)15)173(279)202-100(24)146(252)205-113(53-60-130(181)234)155(261)213-114-55-62-133(237)193-68-40-38-49-109(210-164(270)126(78-104-84-191-86-197-104)218-145(251)99(23)201-149(114)255)154(260)224-128(80-132(183)236)166(272)212-111(51-42-70-195-176(187)188)151(257)208-108(48-37-39-67-180)153(259)219-120(72-88(4)5)159(265)209-107(47-33-30-2)150(256)217-119(59-66-137(244)245)170(276)231-179(28,83-94(16)17)174(280)229-140(142(184)248)96(20)31-3/h34-36,44-45,84-101,106-129,139-141,232H,29-33,37-43,46-83,180H2,1-28H3,(H2,181,234)(H2,182,235)(H2,183,236)(H2,184,248)(H,191,197)(H,192,198)(H,193,237)(H,199,253)(H,200,254)(H,201,255)(H,202,279)(H,203,233)(H,204,249)(H,205,252)(H,206,250)(H,207,263)(H,208,257)(H,209,265)(H,210,270)(H,211,266)(H,212,272)(H,213,261)(H,214,258)(H,215,267)(H,216,262)(H,217,256)(H,218,251)(H,219,259)(H,220,268)(H,221,271)(H,222,273)(H,223,269)(H,224,260)(H,225,277)(H,226,278)(H,227,264)(H,228,274)(H,229,280)(H,230,275)(H,231,276)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H4,185,186,194)(H4,187,188,195)(H4,189,190,196)/t96-,97-,98-,99-,100-,101+,106?,107?,108-,109-,110-,111-,112-,113-,114-,115-,116?,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128-,129-,139-,140-,141-,178?,179?/m0/s1
    MOLECULAR FORMULA
    C179H298N52O49
    CROSS REFERENCES
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    canSAR2096362
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3960.24
    AlogP-10.35
    HBond donors64
    HBond acceptors101
    Atoms578
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096362.