canSAR2079774
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)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](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C
    InChI
    InChI=1S/C151H227N39O48/c1-17-77(10)121(148(236)168-81(14)127(215)176-105(60-87-63-159-92-36-25-24-35-90(87)92)138(226)178-101(56-74(4)5)139(227)187-119(75(6)7)146(234)175-94(37-26-28-52-152)130(218)160-65-110(197)169-93(39-30-54-158-151(155)156)129(217)163-68-118(210)211)189-140(228)103(57-84-31-20-18-21-32-84)179-135(223)99(47-51-116(206)207)174-134(222)95(38-27-29-53-153)171-125(213)79(12)165-124(212)78(11)167-133(221)98(46-50-115(204)205)170-111(198)66-161-132(220)97(45-49-114(202)203)173-136(224)100(55-73(2)3)177-137(225)102(59-86-40-42-89(196)43-41-86)180-143(231)107(69-191)183-145(233)109(71-193)184-147(235)120(76(8)9)188-142(230)106(62-117(208)209)181-144(232)108(70-192)185-150(238)123(83(16)195)190-141(229)104(58-85-33-22-19-23-34-85)182-149(237)122(82(15)194)186-112(199)67-162-131(219)96(44-48-113(200)201)172-126(214)80(13)166-128(216)91(154)61-88-64-157-72-164-88/h18-25,31-36,40-43,63-64,72-83,91,93-109,119-123,159,191-196H,17,26-30,37-39,44-62,65-71,152-154H2,1-16H3,(H,157,164)(H,160,218)(H,161,220)(H,162,219)(H,163,217)(H,165,212)(H,166,216)(H,167,221)(H,168,236)(H,169,197)(H,170,198)(H,171,213)(H,172,214)(H,173,224)(H,174,222)(H,175,234)(H,176,215)(H,177,225)(H,178,226)(H,179,223)(H,180,231)(H,181,232)(H,182,237)(H,183,233)(H,184,235)(H,185,238)(H,186,199)(H,187,227)(H,188,230)(H,189,228)(H,190,229)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,155,156,158)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,119-,120-,121-,122-,123-/m0/s1
    MOLECULAR FORMULA
    C151H227N39O48
    CROSS REFERENCES
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    canSAR2079774
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3354.65
    AlogP-13.69
    HBond donors54
    HBond acceptors87
    Atoms465
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079774.