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canSAR668503
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C)[C@H](C)O
    InChI
    InChI=1S/C186H305N45O52/c1-88(2)71-126(170(266)202-100(24)151(247)196-104(28)157(253)215-130(75-92(9)10)174(270)211-119(54-41-45-67-188)163(259)200-108(32)155(251)209-121(56-43-47-69-190)167(263)220-127(72-89(3)4)171(267)203-101(25)152(248)197-105(29)158(254)216-131(76-93(11)12)175(271)212-120(55-42-46-68-189)164(260)206-110(34)186(282)283)219-166(262)118(53-40-44-66-187)207-140(234)85-195-162(258)135(80-112-83-192-116-51-38-36-49-114(112)116)224-181(277)139-57-48-70-231(139)185(281)137(82-146(244)245)226-178(274)136(81-113-84-193-117-52-39-37-50-115(113)117)223-180(276)138(87-232)227-182(278)147(97(19)20)230-183(279)148(98(21)22)229-179(275)134(79-96(17)18)225-184(280)149(111(35)233)228-141(235)86-194-161(257)122(58-62-142(236)237)213-176(272)132(77-94(13)14)217-159(255)106(30)198-154(250)103(27)205-173(269)129(74-91(7)8)222-169(265)125(61-65-145(242)243)210-156(252)109(33)201-165(261)123(59-63-143(238)239)214-177(273)133(78-95(15)16)218-160(256)107(31)199-153(249)102(26)204-172(268)128(73-90(5)6)221-168(264)124(60-64-144(240)241)208-150(246)99(23)191/h36-39,49-52,83-84,88-111,118-139,147-149,192-193,232-233H,40-48,53-82,85-87,187-191H2,1-35H3,(H,194,257)(H,195,258)(H,196,247)(H,197,248)(H,198,250)(H,199,249)(H,200,259)(H,201,261)(H,202,266)(H,203,267)(H,204,268)(H,205,269)(H,206,260)(H,207,234)(H,208,246)(H,209,251)(H,210,252)(H,211,270)(H,212,271)(H,213,272)(H,214,273)(H,215,253)(H,216,254)(H,217,255)(H,218,256)(H,219,262)(H,220,263)(H,221,264)(H,222,265)(H,223,276)(H,224,277)(H,225,280)(H,226,274)(H,227,278)(H,228,235)(H,229,275)(H,230,279)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,282,283)/t99-,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,147+,148+,149+/m1/s1
    MOLECULAR FORMULA
    C186H305N45O52
    CROSS REFERENCES
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    canSAR668503

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 4001.26
    AlogP -8.17
    HBond donors 57
    HBond acceptors 97
    Atoms 588
    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 canSAR668503.