canSAR158741
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]1CCCCNC(=O)CCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)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(N)=O)C(C)C
    InChI
    InChI=1S/C154H231N41O47/c1-16-79(10)124(151(240)172-82(13)129(218)181-107(62-88-65-164-93-36-24-23-35-91(88)93)141(230)183-103(58-76(4)5)142(231)192-122(77(6)7)149(238)180-95(37-25-27-54-155)132(221)167-69-116(206)173-94(40-30-56-163-154(159)160)131(220)165-67-113(158)203)194-143(232)105(59-85-31-19-17-20-32-85)184-138(227)101(49-53-120(212)213)178-135(224)96-38-26-28-55-162-114(204)41-29-39-97(136(225)177-99(46-50-112(157)202)134(223)171-80(11)127(216)170-81(12)128(217)175-96)176-137(226)100(48-52-119(210)211)179-139(228)102(57-75(2)3)182-140(229)104(61-87-42-44-90(201)45-43-87)185-146(235)109(71-196)188-148(237)111(73-198)189-150(239)123(78(8)9)193-145(234)108(64-121(214)215)186-147(236)110(72-197)190-153(242)126(84(15)200)195-144(233)106(60-86-33-21-18-22-34-86)187-152(241)125(83(14)199)191-117(207)70-168-133(222)98(47-51-118(208)209)174-115(205)68-166-130(219)92(156)63-89-66-161-74-169-89/h17-24,31-36,42-45,65-66,74-84,92,94-111,122-126,164,196-201H,16,25-30,37-41,46-64,67-73,155-156H2,1-15H3,(H2,157,202)(H2,158,203)(H,161,169)(H,162,204)(H,165,220)(H,166,219)(H,167,221)(H,168,222)(H,170,216)(H,171,223)(H,172,240)(H,173,206)(H,174,205)(H,175,217)(H,176,226)(H,177,225)(H,178,224)(H,179,228)(H,180,238)(H,181,218)(H,182,229)(H,183,230)(H,184,227)(H,185,235)(H,186,236)(H,187,241)(H,188,237)(H,189,239)(H,190,242)(H,191,207)(H,192,231)(H,193,234)(H,194,232)(H,195,233)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H4,159,160,163)/t79-,80-,81-,82-,83-,84-,92-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,122-,123-,124-,125-,126-/m0/s1
    MOLECULAR FORMULA
    C154H231N41O47
    CROSS REFERENCES
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    canSAR158741
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3406.69
    AlogP-14.56
    HBond donors55
    HBond acceptors88
    Atoms473
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR158741.