canSAR819391
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]1CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1)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/C156H230N44O47S/c1-76(2)57-102(138(230)182-101(51-56-248-10)137(229)191-109(65-119(162)212)147(239)200-126(81(9)206)154(246)247)185-142(234)108(63-86-68-171-92-30-18-17-29-90(86)92)190-135(227)99(45-49-118(161)211)183-152(244)124(78(5)6)198-145(237)106(59-82-25-13-11-14-26-82)189-143(235)110(66-122(215)216)192-134(226)98(44-48-117(160)210)176-127(219)79(7)174-130(222)95(33-23-54-169-155(163)164)177-132(224)96(34-24-55-170-156(165)166)179-150(242)114(73-203)196-144(236)111(67-123(217)218)193-139(231)103(58-77(3)4)184-140(232)104(61-84-35-39-88(207)40-36-84)186-133(225)94(31-19-21-52-157)178-149(241)113(72-202)195-141(233)105(62-85-37-41-89(208)42-38-85)187-136(228)100-46-50-120(213)168-53-22-20-32-93(131(223)188-107(60-83-27-15-12-16-28-83)146(238)199-125(80(8)205)153(245)197-115(74-204)151(243)181-100)175-121(214)70-172-129(221)97(43-47-116(159)209)180-148(240)112(71-201)194-128(220)91(158)64-87-69-167-75-173-87/h11-18,25-30,35-42,68-69,75-81,91,93-115,124-126,171,201-208H,19-24,31-34,43-67,70-74,157-158H2,1-10H3,(H2,159,209)(H2,160,210)(H2,161,211)(H2,162,212)(H,167,173)(H,168,213)(H,172,221)(H,174,222)(H,175,214)(H,176,219)(H,177,224)(H,178,241)(H,179,242)(H,180,240)(H,181,243)(H,182,230)(H,183,244)(H,184,232)(H,185,234)(H,186,225)(H,187,228)(H,188,223)(H,189,235)(H,190,227)(H,191,229)(H,192,226)(H,193,231)(H,194,220)(H,195,233)(H,196,236)(H,197,245)(H,198,237)(H,199,238)(H,200,239)(H,215,216)(H,217,218)(H,246,247)(H4,163,164,169)(H4,165,166,170)/t79-,80+,81+,91-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,124-,125-,126-/m0/s1
    MOLECULAR FORMULA
    C156H230N44O47S
    CROSS REFERENCES
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    canSAR819391
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3503.67
    AlogP-17.13
    HBond donors62
    HBond acceptors91
    Atoms478
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR819391.