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canSAR837542
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N2
    InChI
    InChI=1S/C167H256N48O50S6/c1-13-83(7)131-161(259)192-102(48-50-122(173)224)139(237)183-70-128(230)210-133(87(11)219)163(261)208-118-77-268-266-75-116-155(253)195-105(58-81(3)4)145(243)196-108(62-92-40-46-96(223)47-41-92)148(246)202-113(72-217)152(250)186-86(10)136(234)209-120(165(263)215-57-27-35-121(215)159(257)213-132(84(8)14-2)162(260)200-109(59-89-28-16-15-17-29-89)151(249)214-134(88(12)220)164(262)191-101(144(242)212-131)32-20-24-54-170)79-271-270-74-115(154(252)193-104(166(264)265)33-21-25-55-171)207-157(255)117(204-142(240)100(31-19-23-53-169)189-135(233)85(9)185-141(239)99(30-18-22-52-168)187-127(229)69-182-138(236)98(34-26-56-179-167(176)177)190-146(244)106(198-156(118)254)60-90-36-42-94(221)43-37-90)76-267-269-78-119(158(256)211-130(82(5)6)160(258)203-114(73-218)153(251)201-112(71-216)140(238)181-67-125(227)180-68-126(228)188-103(143(241)205-116)49-51-123(174)225)206-150(248)111(65-124(175)226)199-147(245)107(61-91-38-44-95(222)45-39-91)197-149(247)110(63-93-66-178-80-184-93)194-137(235)97(172)64-129(231)232/h15-17,28-29,36-47,66,80-88,97-121,130-134,216-223H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,224)(H2,174,225)(H2,175,226)(H,178,184)(H,180,227)(H,181,238)(H,182,236)(H,183,237)(H,185,239)(H,186,250)(H,187,229)(H,188,228)(H,189,233)(H,190,244)(H,191,262)(H,192,259)(H,193,252)(H,194,235)(H,195,253)(H,196,243)(H,197,247)(H,198,254)(H,199,245)(H,200,260)(H,201,251)(H,202,246)(H,203,258)(H,204,240)(H,205,241)(H,206,248)(H,207,255)(H,208,261)(H,209,234)(H,210,230)(H,211,256)(H,212,242)(H,213,257)(H,214,249)(H,231,232)(H,264,265)(H4,176,177,179)/t83-,84-,85-,86-,87+,88+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,130-,131-,132-,133-,134-/m0/s1
    MOLECULAR FORMULA
    C167H256N48O50S6
    CROSS REFERENCES
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    canSAR837542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3925.73
    AlogP -18.13
    HBond donors 65
    HBond acceptors 98
    Atoms 527
    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 canSAR837542.