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canSAR2052826
FEATURES
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NAMES
    SMILES
    CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(N)CC(=O)O)C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCSC)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)O
    InChI
    InChI=1S/C181H257N45O54S/c1-11-92(7)149(225-167(266)121(58-69-145(242)243)205-158(257)113(50-61-136(187)229)209-174(273)129(81-99-88-196-106-43-26-23-40-102(99)106)220-176(275)131(84-140(191)233)221-154(253)110(47-32-73-194-181(192)193)201-153(252)108(45-28-30-71-182)202-168(267)123(75-90(3)4)214-162(261)119(56-67-143(238)239)211-177(276)132(85-147(246)247)222-161(260)117(54-65-141(234)235)199-151(250)94(9)198-152(251)104(184)83-146(244)245)178(277)213-115(52-63-138(189)231)160(259)204-118(55-66-142(236)237)163(262)215-125(77-95-33-16-13-17-34-95)170(269)207-112(49-60-135(186)228)157(256)203-116(53-64-139(190)232)166(265)226-150(93(8)12-2)179(278)223-124(76-91(5)6)169(268)206-114(51-62-137(188)230)159(258)212-122(70-74-281-10)165(264)216-127(79-97-37-20-15-21-38-97)172(271)217-126(78-96-35-18-14-19-36-96)171(270)210-120(57-68-144(240)241)164(263)218-130(82-100-89-197-107-44-27-24-41-103(100)107)175(274)219-128(80-98-87-195-105-42-25-22-39-101(98)105)173(272)208-111(48-59-134(185)227)156(255)200-109(46-29-31-72-183)155(254)224-133(180(279)280)86-148(248)249/h13-27,33-44,87-94,104,108-133,149-150,195-197H,11-12,28-32,45-86,182-184H2,1-10H3,(H2,185,227)(H2,186,228)(H2,187,229)(H2,188,230)(H2,189,231)(H2,190,232)(H2,191,233)(H,198,251)(H,199,250)(H,200,255)(H,201,252)(H,202,267)(H,203,256)(H,204,259)(H,205,257)(H,206,268)(H,207,269)(H,208,272)(H,209,273)(H,210,270)(H,211,276)(H,212,258)(H,213,277)(H,214,261)(H,215,262)(H,216,264)(H,217,271)(H,218,263)(H,219,274)(H,220,275)(H,221,253)(H,222,260)(H,223,278)(H,224,254)(H,225,266)(H,226,265)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,279,280)(H4,192,193,194)/t92-,93?,94?,104-,108-,109-,110-,111-,112-,113-,114-,115-,116?,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133?,149-,150?/m0/s1
    MOLECULAR FORMULA
    C181H257N45O54S
    CROSS REFERENCES
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    canSAR2052826

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3956.85
    AlogP -9.95
    HBond donors 65
    HBond acceptors 99
    Atoms 538
    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 canSAR2052826.