canSAR2095874
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(C)N(C)C(=O)C(C)NC1=O
    InChI
    InChI=1S/C177H298N50O49/c1-31-34-48-105(204-155(259)115(59-66-133(236)237)211-159(263)122(77-90(10)11)220-168(272)137(94(18)19)222-156(260)116(60-67-134(238)239)210-150(254)111(54-45-73-193-175(187)188)207-158(262)120(75-88(6)7)215-160(264)121(76-89(8)9)216-162(266)125(80-104-85-189-86-194-104)218-161(265)124(79-103-46-37-36-38-47-103)221-169(273)139(101(26)228)223-165(269)123(78-91(12)13)217-164(268)127(82-136(242)243)199-102(27)229)145(249)195-96(21)141(245)200-109(52-43-71-191-173(183)184)146(250)196-97(22)142(246)202-114(58-65-132(234)235)154(258)212-117(56-63-129(180)231)166(270)225-176(28,83-92(14)15)171(275)198-98(23)143(247)201-112(55-62-128(179)230)153(257)209-113-57-64-131(233)190-70-42-40-51-107(203-144(248)100(25)227(30)170(274)99(24)197-147(113)251)151(255)219-126(81-130(181)232)163(267)208-110(53-44-72-192-174(185)186)149(253)205-108(50-39-41-69-178)152(256)214-119(74-87(4)5)157(261)206-106(49-35-32-2)148(252)213-118(61-68-135(240)241)167(271)226-177(29,84-93(16)17)172(276)224-138(140(182)244)95(20)33-3/h36-38,46-47,85-101,105-127,137-139,228H,31-35,39-45,48-84,178H2,1-30H3,(H2,179,230)(H2,180,231)(H2,181,232)(H2,182,244)(H,189,194)(H,190,233)(H,195,249)(H,196,250)(H,197,251)(H,198,275)(H,199,229)(H,200,245)(H,201,247)(H,202,246)(H,203,248)(H,204,259)(H,205,253)(H,206,261)(H,207,262)(H,208,267)(H,209,257)(H,210,254)(H,211,263)(H,212,258)(H,213,252)(H,214,256)(H,215,264)(H,216,266)(H,217,268)(H,218,265)(H,219,255)(H,220,272)(H,221,273)(H,222,260)(H,223,269)(H,224,276)(H,225,270)(H,226,271)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)/t95?,96?,97-,98-,99-,100+,101+,105?,106?,107-,108-,109-,110?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124+,125-,126-,127-,137-,138-,139-,176?,177?/m0/s1
    MOLECULAR FORMULA
    C177H298N50O49
    CROSS REFERENCES
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    canSAR2095874
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3908.24
    AlogP-9.95
    HBond donors62
    HBond acceptors99
    Atoms574
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095874.