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canSAR503711
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NC[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)CC)[C@@H](C)CC
    InChI
    InChI=1S/C170H287N51O47/c1-27-31-43-101(198-150(251)110(52-58-128(230)231)206-157(258)117(69-86(13)14)215-165(266)131(88(17)18)218-152(253)111(53-59-129(232)233)204-147(248)106(48-40-64-187-170(181)182)201-156(257)115(67-84(9)10)211-158(259)116(68-85(11)12)212-160(261)121(73-99-77-184-81-190-99)213-159(260)119(71-97-41-34-33-35-42-97)216-167(268)134(96(26)224)221-163(264)118(70-87(15)16)208-141(242)100(172)78-222)142(243)192-93(23)138(239)196-104(46-38-62-185-168(177)178)143(244)193-94(24)139(240)197-109(51-57-127(228)229)149(250)203-108(50-56-125(174)226)151(252)209-113(65-82(5)6)154(255)191-92(22)137(238)188-75-91(21)136(237)195-107(49-55-124(173)225)144(245)194-95(25)140(241)207-120(72-98-76-183-80-189-98)161(262)217-123(79-223)164(265)214-122(74-126(175)227)162(263)202-105(47-39-63-186-169(179)180)146(247)199-103(45-36-37-61-171)148(249)210-114(66-83(7)8)155(256)200-102(44-32-28-2)145(246)205-112(54-60-130(234)235)153(254)220-133(90(20)30-4)166(267)219-132(135(176)236)89(19)29-3/h33-35,41-42,76-77,80-96,100-123,131-134,222-224H,27-32,36-40,43-75,78-79,171-172H2,1-26H3,(H2,173,225)(H2,174,226)(H2,175,227)(H2,176,236)(H,183,189)(H,184,190)(H,188,238)(H,191,255)(H,192,243)(H,193,244)(H,194,245)(H,195,237)(H,196,239)(H,197,240)(H,198,251)(H,199,247)(H,200,256)(H,201,257)(H,202,263)(H,203,250)(H,204,248)(H,205,246)(H,206,258)(H,207,241)(H,208,242)(H,209,252)(H,210,249)(H,211,259)(H,212,261)(H,213,260)(H,214,265)(H,215,266)(H,216,268)(H,217,262)(H,218,253)(H,219,267)(H,220,254)(H,221,264)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)/t89?,90-,91-,92-,93-,94-,95-,96+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120-,121-,122-,123-,131-,132-,133-,134-/m0/s1
    MOLECULAR FORMULA
    C170H287N51O47
    CROSS REFERENCES
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    canSAR503711

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3795.16
    AlogP -13.24
    HBond donors 65
    HBond acceptors 98
    Atoms 555
    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 canSAR503711.