canSAR2096152
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC3=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C1=O
    InChI
    InChI=1S/C178H278N56O43S7/c1-13-94(10)140-174(277)234-66-35-51-132(234)168(271)211-110(47-31-62-197-176(189)190)148(251)218-121(76-133(184)238)156(259)219-123(78-137(243)244)158(261)207-108(45-25-29-60-182)150(253)224-128-86-282-280-84-126(162(265)209-106(43-23-27-58-180)146(249)216-118(72-98-52-54-101(237)55-53-98)160(263)230-138(92(6)7)170(273)213-114(142(186)245)70-96-36-16-14-17-37-96)226-154(257)119(73-99-79-200-104-41-21-20-40-102(99)104)217-147(250)105(42-22-26-57-179)206-155(258)120(74-100-80-195-89-202-100)221-172(275)141(95(11)236)232-152(255)111(48-32-63-198-177(191)192)208-161(264)124(82-235)222-165(268)129-87-283-284-88-130(167(270)231-140)225-149(252)107(44-24-28-59-181)204-145(248)109(46-30-61-196-175(187)188)205-151(254)112(56-67-278-12)210-153(256)117(71-97-38-18-15-19-39-97)203-135(240)81-201-144(247)115(68-90(2)3)214-164(267)125(223-143(246)103(183)75-136(241)242)83-279-281-85-127(227-166(128)269)163(266)212-113(49-33-64-199-178(193)194)173(276)233-65-34-50-131(233)169(272)220-122(77-134(185)239)157(260)215-116(69-91(4)5)159(262)229-139(93(8)9)171(274)228-129/h14-21,36-41,52-55,79-80,89-95,103,105-132,138-141,200,235-237H,13,22-35,42-51,56-78,81-88,179-183H2,1-12H3,(H2,184,238)(H2,185,239)(H2,186,245)(H,195,202)(H,201,247)(H,203,240)(H,204,248)(H,205,254)(H,206,258)(H,207,261)(H,208,264)(H,209,265)(H,210,256)(H,211,271)(H,212,266)(H,213,273)(H,214,267)(H,215,260)(H,216,249)(H,217,250)(H,218,251)(H,219,259)(H,220,272)(H,221,275)(H,222,268)(H,223,246)(H,224,253)(H,225,252)(H,226,257)(H,227,269)(H,228,274)(H,229,262)(H,230,263)(H,231,270)(H,232,255)(H,241,242)(H,243,244)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t94-,95+,103-,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-,131-,132-,138-,139-,140-,141-/m0/s1
    MOLECULAR FORMULA
    C178H278N56O43S7
    CROSS REFERENCES
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    canSAR2096152
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight4111.93
    AlogP-13.40
    HBond donors70
    HBond acceptors99
    Atoms562
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096152.