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canSAR1864265
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4cccc5ccccc45)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O
    InChI
    InChI=1S/C177H276N54O48S6/c1-12-89(5)134-167(272)214-119(74-133(243)244)157(262)229-139(95(11)239)171(276)227-135(90(6)13-2)172(277)231-67-35-52-130(231)166(271)207-107(47-24-28-61-180)147(252)216-121(78-233)158(263)203-111(51-34-66-196-177(190)191)148(253)220-128-85-283-282-83-126-163(268)205-109(49-32-64-194-175(186)187)143(248)200-108(48-25-29-62-181)150(255)228-138(94(10)238)170(275)223-124(142(247)197-76-132(242)225-136(92(8)236)169(274)224-129(173(278)279)86-285-284-84-127(164(269)226-134)222-161(266)120(77-232)215-141(246)104(182)44-31-63-193-174(184)185)81-280-281-82-125(219-149(254)112(57-58-131(183)241)206-152(257)114(69-96-36-16-14-17-37-96)208-140(245)91(7)199-168(273)137(93(9)237)230-165(128)270)162(267)204-106(46-23-27-60-179)145(250)213-118(73-101-75-192-87-198-101)156(261)218-123(80-235)160(265)212-117(72-100-42-30-41-99-40-20-21-43-103(99)100)155(260)201-105(45-22-26-59-178)144(249)210-116(71-98-53-55-102(240)56-54-98)153(258)202-110(50-33-65-195-176(188)189)146(251)209-113(68-88(3)4)151(256)217-122(79-234)159(264)211-115(154(259)221-126)70-97-38-18-15-19-39-97/h14-21,30,36-43,53-56,75,87-95,104-130,134-139,232-240H,12-13,22-29,31-35,44-52,57-74,76-86,178-182H2,1-11H3,(H2,183,241)(H,192,198)(H,197,247)(H,199,273)(H,200,248)(H,201,260)(H,202,258)(H,203,263)(H,204,267)(H,205,268)(H,206,257)(H,207,271)(H,208,245)(H,209,251)(H,210,249)(H,211,264)(H,212,265)(H,213,250)(H,214,272)(H,215,246)(H,216,252)(H,217,256)(H,218,261)(H,219,254)(H,220,253)(H,221,259)(H,222,266)(H,223,275)(H,224,274)(H,225,242)(H,226,269)(H,227,276)(H,228,255)(H,229,262)(H,230,270)(H,243,244)(H,278,279)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t89-,90-,91-,92+,93+,94+,95+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,134-,135-,136-,137-,138-,139-/m0/s1
    MOLECULAR FORMULA
    C177H276N54O48S6
    CROSS REFERENCES
    1864265 logo

    canSAR1864265

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 4117.91
    AlogP -18.04
    HBond donors 73
    HBond acceptors 102
    Atoms 561
    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 canSAR1864265.