canSAR293884
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
    InChI
    InChI=1S/C153H227N43O47S3/c1-72(2)52-97(132(223)175-96(47-51-246-11)131(222)183-104(60-116(159)209)141(232)196-122(78(10)203)151(242)243)178-136(227)103(58-83-63-167-89-29-19-18-28-87(83)89)182-129(220)95(43-46-115(158)208)176-148(239)119(74(5)6)193-139(230)101(54-79-24-14-12-15-25-79)180-137(228)105(61-117(210)211)184-128(219)93(41-44-113(156)206)170-123(214)75(7)169-125(216)91(31-22-49-165-152(160)161)171-126(217)92(32-23-50-166-153(162)163)173-144(235)109(67-199)189-138(229)106(62-118(212)213)185-133(224)98(53-73(3)4)177-134(225)99(56-81-33-37-85(204)38-34-81)179-127(218)90(30-20-21-48-154)172-143(234)108(66-198)188-135(226)100(57-82-35-39-86(205)40-36-82)181-146(237)111(69-244)192-145(236)110(68-200)190-150(241)121(77(9)202)194-140(231)102(55-80-26-16-13-17-27-80)186-149(240)120(76(8)201)195-147(238)112(70-245)191-130(221)94(42-45-114(157)207)174-142(233)107(65-197)187-124(215)88(155)59-84-64-164-71-168-84/h12-19,24-29,33-40,63-64,71-78,88,90-112,119-122,167,197-205,244-245H,20-23,30-32,41-62,65-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,168)(H,169,216)(H,170,214)(H,171,217)(H,172,234)(H,173,235)(H,174,233)(H,175,223)(H,176,239)(H,177,225)(H,178,227)(H,179,218)(H,180,228)(H,181,237)(H,182,220)(H,183,222)(H,184,219)(H,185,224)(H,186,240)(H,187,215)(H,188,226)(H,189,229)(H,190,241)(H,191,221)(H,192,236)(H,193,230)(H,194,231)(H,195,238)(H,196,232)(H,210,211)(H,212,213)(H,242,243)(H4,160,161,165)(H4,162,163,166)/t75-,76+,77+,78+,88-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-,121-,122-/m0/s1
    MOLECULAR FORMULA
    C153H227N43O47S3
    CROSS REFERENCES
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    canSAR293884
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3514.59
    AlogP-17.61
    HBond donors62
    HBond acceptors90
    Atoms473
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR293884.