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canSAR2051987
FEATURES
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NAMES
    SMILES
    CCCCC(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O
    InChI
    InChI=1S/C175H260ClN43O52/c1-21-26-51-106(195-151(248)110(56-58-131(229)230)196-160(257)122(74-134(235)236)209-167(264)126(82-221)212-157(254)116(66-97-44-32-28-33-45-97)205-166(263)125(81-220)193-130(228)80-188-148(245)121(73-133(233)234)192-129(227)79-187-147(244)104(178)70-102-78-184-83-189-102)149(246)202-118(68-99-48-40-49-101(176)64-99)165(262)218-143(95(20)224)174(271)216-139(89(14)24-4)170(267)210-113(62-85(8)9)155(252)208-124(76-136(239)240)162(259)203-115(65-96-42-30-27-31-43-96)156(253)200-112(61-84(6)7)154(251)191-91(16)145(242)190-92(17)146(243)194-108(54-41-60-185-175(182)183)150(247)207-123(75-135(237)238)161(258)204-117(67-98-46-34-29-35-47-98)164(261)215-138(88(13)23-3)169(266)211-120(71-128(180)226)159(256)206-119(69-100-77-186-105-52-37-36-50-103(100)105)158(255)201-114(63-86(10)11)163(260)214-137(87(12)22-2)168(265)198-109(55-57-127(179)225)153(250)217-141(93(18)222)172(269)197-107(53-38-39-59-177)152(249)213-140(90(15)25-5)171(268)219-142(94(19)223)173(270)199-111(144(181)241)72-132(231)232/h27-37,40,42-50,52,64,77-78,83-95,104,106-126,137-143,186,220-224H,21-26,38-39,41,51,53-63,65-76,79-82,177-178H2,1-20H3,(H2,179,225)(H2,180,226)(H2,181,241)(H,184,189)(H,187,244)(H,188,245)(H,190,242)(H,191,251)(H,192,227)(H,193,228)(H,194,243)(H,195,248)(H,196,257)(H,197,269)(H,198,265)(H,199,270)(H,200,253)(H,201,255)(H,202,246)(H,203,259)(H,204,258)(H,205,263)(H,206,256)(H,207,247)(H,208,252)(H,209,264)(H,210,267)(H,211,266)(H,212,254)(H,213,249)(H,214,260)(H,215,261)(H,216,271)(H,217,250)(H,218,262)(H,219,268)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H,239,240)(H4,182,183,185)/t87-,88-,89-,90-,91-,92-,93+,94+,95+,104-,106?,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+,119-,120-,121-,122-,123-,124-,125-,126-,137-,138-,139-,140-,141-,142-,143-/m0/s1
    MOLECULAR FORMULA
    C175H260ClN43O52
    CROSS REFERENCES
    2051987 logo

    canSAR2051987

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3830.87
    AlogP -11.66
    HBond donors 59
    HBond acceptors 95
    Atoms 531
    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 canSAR2051987.