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canSAR344340
FEATURES
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NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(N)=O)NC1=O
    InChI
    InChI=1S/C160H267N49O43/c1-23-27-39-94(188-143(238)105(50-58-122(217)218)198-151(246)112(69-82(13)14)206-156(251)125(83(15)16)207-146(241)106(51-59-123(219)220)195-139(234)99(44-36-64-178-160(171)172)191-150(245)110(67-80(9)10)203-152(247)111(68-81(11)12)204-154(249)114(72-92-75-174-77-180-92)200-133(228)93(161)70-90-37-30-29-31-38-90)134(229)181-86(19)129(224)185-97(42-34-62-176-158(167)168)135(230)182-87(20)130(225)187-104(49-57-121(215)216)142(237)194-102(47-55-118(164)212)144(239)201-108(65-78(5)6)148(243)184-88(21)131(226)186-101(46-54-117(163)211)141(236)193-100(45-53-116(162)210)136(231)183-89(22)132(227)199-113(71-91-74-173-76-179-91)153(248)197-103-48-56-120(214)175-61-33-32-41-96(189-138(233)98(43-35-63-177-159(169)170)192-155(250)115(73-119(165)213)205-145(103)240)140(235)202-109(66-79(7)8)149(244)190-95(40-28-24-2)137(232)196-107(52-60-124(221)222)147(242)209-127(85(18)26-4)157(252)208-126(128(166)223)84(17)25-3/h29-31,37-38,74-89,93-115,125-127,154,204,249H,23-28,32-36,39-73,161H2,1-22H3,(H2,162,210)(H2,163,211)(H2,164,212)(H2,165,213)(H2,166,223)(H,173,179)(H,174,180)(H,175,214)(H,181,229)(H,182,230)(H,183,231)(H,184,243)(H,185,224)(H,186,226)(H,187,225)(H,188,238)(H,189,233)(H,190,244)(H,191,245)(H,192,250)(H,193,236)(H,194,237)(H,195,234)(H,196,232)(H,197,248)(H,198,246)(H,199,227)(H,200,228)(H,201,239)(H,202,235)(H,203,247)(H,205,240)(H,206,251)(H,207,241)(H,208,252)(H,209,242)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H4,167,168,176)(H4,169,170,177)(H4,171,172,178)/t84-,85-,86-,87-,88-,89-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115+,125-,126-,127-,154?/m0/s1
    MOLECULAR FORMULA
    C160H267N49O43
    CROSS REFERENCES
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    canSAR344340

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3563.02
    AlogP -11.36
    HBond donors 61
    HBond acceptors 92
    Atoms 519
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR344340.