canSAR8646
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](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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/C152H223N43O47S3/c1-72(2)51-96(132(223)175-95(46-50-245-10)131(222)183-103(59-115(158)206)142(233)195-122(77(9)200)150(241)242)178-137(228)102(57-82-63-166-88-28-18-17-27-86(82)88)182-130(221)94(42-45-114(157)205)176-148(239)120(74(5)6)194-141(232)101(54-79-25-15-12-16-26-79)181-138(229)104(60-117(208)209)184-129(220)93(41-44-113(156)204)170-123(214)75(7)169-126(217)90(30-21-48-164-151(159)160)171-127(218)91(31-22-49-165-152(161)162)173-144(235)108(67-197)189-140(231)106(62-119(212)213)185-133(224)97(52-73(3)4)177-134(225)98(55-80-32-36-84(201)37-33-80)179-128(219)89(29-19-20-47-153)172-143(234)107(66-196)188-135(226)99(56-81-34-38-85(202)39-35-81)180-139(230)105(61-118(210)211)186-145(236)109(68-198)190-147(238)111(70-244)192-136(227)100(53-78-23-13-11-14-24-78)187-149(240)121(76(8)199)193-116(207)65-167-125(216)92(40-43-112(155)203)174-146(237)110(69-243)191-124(215)87(154)58-83-64-163-71-168-83/h11-18,23-28,32-39,63-64,71-77,87,89-111,120-122,166,196-202,243-244H,19-22,29-31,40-62,65-70,153-154H2,1-10H3,(H2,155,203)(H2,156,204)(H2,157,205)(H2,158,206)(H,163,168)(H,167,216)(H,169,217)(H,170,214)(H,171,218)(H,172,234)(H,173,235)(H,174,237)(H,175,223)(H,176,239)(H,177,225)(H,178,228)(H,179,219)(H,180,230)(H,181,229)(H,182,221)(H,183,222)(H,184,220)(H,185,224)(H,186,236)(H,187,240)(H,188,226)(H,189,231)(H,190,238)(H,191,215)(H,192,227)(H,193,207)(H,194,232)(H,195,233)(H,208,209)(H,210,211)(H,212,213)(H,241,242)(H4,159,160,164)(H4,161,162,165)/t75-,76+,77+,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-/m0/s1
    MOLECULAR FORMULA
    C152H223N43O47S3
    CROSS REFERENCES
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    canSAR8646
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3498.55
    AlogP-16.87
    HBond donors61
    HBond acceptors90
    Atoms468
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR8646.