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canSAR2052373
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)CCCNC(=N)N)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](CC(=O)O)NC(=O)[C@@H]2CCCN2C1=O
    InChI
    InChI=1S/C178H278N56O43S7/c1-13-94(10)140-174(277)234-66-35-51-132(234)169(272)220-123(78-137(243)244)158(261)217-120(75-133(184)238)155(258)218-122(77-136(241)242)157(260)207-108(46-25-29-60-182)149(252)224-128-86-282-280-84-126(162(265)209-106(44-23-27-58-180)146(249)215-117(72-98-52-54-101(237)55-53-98)160(263)230-138(92(6)7)170(273)212-113(142(186)245)70-96-36-16-14-17-37-96)226-153(256)118(73-99-79-200-104-42-21-20-40-102(99)104)216-147(250)105(43-22-26-57-179)206-154(257)119(74-100-80-195-89-202-100)221-172(275)141(95(11)236)232-151(254)110(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)225-148(251)107(45-24-28-59-181)204-145(248)109(47-31-62-197-176(189)190)205-150(253)111(56-67-278-12)210-152(255)116(71-97-38-18-15-19-39-97)203-135(240)81-201-144(247)114(68-90(2)3)213-164(267)125(223-143(246)103(183)41-30-61-196-175(187)188)83-279-281-85-127(227-166(128)269)163(266)211-112(49-33-64-199-178(193)194)173(276)233-65-34-50-131(233)168(271)219-121(76-134(185)239)156(259)214-115(69-91(4)5)159(262)229-139(93(8)9)171(274)228-129/h14-21,36-40,42,52-55,79-80,89-95,103,105-132,138-141,200,235-237H,13,22-35,41,43-51,56-78,81-88,179-183H2,1-12H3,(H2,184,238)(H2,185,239)(H2,186,245)(H,195,202)(H,201,247)(H,203,240)(H,204,248)(H,205,253)(H,206,257)(H,207,260)(H,208,264)(H,209,265)(H,210,255)(H,211,266)(H,212,273)(H,213,267)(H,214,259)(H,215,249)(H,216,250)(H,217,261)(H,218,258)(H,219,271)(H,220,272)(H,221,275)(H,222,268)(H,223,246)(H,224,252)(H,225,251)(H,226,256)(H,227,269)(H,228,274)(H,229,262)(H,230,263)(H,231,270)(H,232,254)(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
    2052373 logo

    canSAR2052373

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 4111.93
    AlogP -13.40
    HBond donors 70
    HBond acceptors 99
    Atoms 562
    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 canSAR2052373.