canSAR385315
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)C(C)C
    InChI
    InChI=1S/C161H263N49O39S2/c1-77(2)45-104(188-126(214)67-177-139(225)114(55-95-63-170-73-179-95)198-152(238)116(57-97-65-172-75-181-97)200-148(234)110(51-83(13)14)195-146(232)108(49-81(9)10)192-132(218)88(23)165)144(230)203-119(60-124(168)212)154(240)207-121(156(242)184-89(24)133(219)190-102(40-32-35-43-163)137(223)175-69-128(216)209-130(86(19)20)158(244)205-106(47-79(5)6)141(227)186-92(27)160(246)247)71-250-251-72-122(157(243)185-90(25)134(220)191-103(41-33-36-44-164)138(224)176-70-129(217)210-131(87(21)22)159(245)206-107(48-80(7)8)142(228)187-93(28)161(248)249)208-155(241)120(61-125(169)213)204-145(231)105(46-78(3)4)189-127(215)68-178-140(226)115(56-96-64-171-74-180-96)199-153(239)117(58-98-66-173-76-182-98)201-149(235)111(52-84(15)16)196-147(233)109(50-82(11)12)193-135(221)91(26)183-143(229)118(59-123(167)211)202-150(236)112(53-85(17)18)197-151(237)113(194-136(222)100(166)38-31-34-42-162)54-94-62-174-101-39-30-29-37-99(94)101/h29-30,37,39,62-66,73-93,100,102-122,130-131,174H,31-36,38,40-61,67-72,162-166H2,1-28H3,(H2,167,211)(H2,168,212)(H2,169,213)(H,170,179)(H,171,180)(H,172,181)(H,173,182)(H,175,223)(H,176,224)(H,177,225)(H,178,226)(H,183,229)(H,184,242)(H,185,243)(H,186,227)(H,187,228)(H,188,214)(H,189,215)(H,190,219)(H,191,220)(H,192,218)(H,193,221)(H,194,222)(H,195,232)(H,196,233)(H,197,237)(H,198,238)(H,199,239)(H,200,234)(H,201,235)(H,202,236)(H,203,230)(H,204,231)(H,205,244)(H,206,245)(H,207,240)(H,208,241)(H,209,216)(H,210,217)(H,246,247)(H,248,249)/t88-,89-,90-,91-,92-,93-,100-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,130-,131-/m0/s1
    MOLECULAR FORMULA
    C161H263N49O39S2
    CROSS REFERENCES
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    canSAR385315
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3570.95
    AlogP-9.32
    HBond donors55
    HBond acceptors88
    Atoms514
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR385315.