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canSAR351469
FEATURES
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NAMES
    SMILES
    CCCC[C@@H]1NC(=O)[C@@H](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](Cc2c[nH]cn2)NC(=O)[C@H](N)Cc2ccccc2)C(C)C)CCCCNC(=O)CC[C@@H](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](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)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(=O)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@H](C)NC1=O
    InChI
    InChI=1S/C159H263N47O43/c1-23-27-40-94-134(226)178-86(19)129(221)183-103(49-56-120(212)173-61-35-33-43-97(138(230)185-94)188-150(242)111(68-82(13)14)202-156(248)124(83(15)16)204-145(237)105(51-58-122(215)216)193-140(232)99(45-37-63-175-159(169)170)189-149(241)109(66-80(9)10)199-151(243)110(67-81(11)12)200-152(244)113(71-92-74-172-77-177-92)196-133(225)93(161)69-90-38-30-29-31-39-90)136(228)179-87(20)130(222)184-104(50-57-121(213)214)143(235)192-102(48-55-118(164)210)144(236)197-107(64-78(5)6)147(239)181-88(21)131(223)182-101(47-54-117(163)209)142(234)191-100(46-53-116(162)208)135(227)180-89(22)132(224)195-112(70-91-73-171-76-176-91)153(245)203-115(75-207)155(247)201-114(72-119(165)211)154(246)190-98(44-36-62-174-158(167)168)139(231)186-96(42-32-34-60-160)141(233)198-108(65-79(7)8)148(240)187-95(41-28-24-2)137(229)194-106(52-59-123(217)218)146(238)206-126(85(18)26-4)157(249)205-125(84(17)25-3)127(219)128(166)220/h29-31,38-39,73-74,76-89,93-115,124-126,207H,23-28,32-37,40-72,75,160-161H2,1-22H3,(H2,162,208)(H2,163,209)(H2,164,210)(H2,165,211)(H2,166,220)(H,171,176)(H,172,177)(H,173,212)(H,178,226)(H,179,228)(H,180,227)(H,181,239)(H,182,223)(H,183,221)(H,184,222)(H,185,230)(H,186,231)(H,187,240)(H,188,242)(H,189,241)(H,190,246)(H,191,234)(H,192,235)(H,193,232)(H,194,229)(H,195,224)(H,196,225)(H,197,236)(H,198,233)(H,199,243)(H,200,244)(H,201,247)(H,202,248)(H,203,245)(H,204,237)(H,205,249)(H,206,238)(H,213,214)(H,215,216)(H,217,218)(H4,167,168,174)(H4,169,170,175)/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-,124-,125-,126-/m0/s1
    MOLECULAR FORMULA
    C159H263N47O43
    CROSS REFERENCES
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    canSAR351469

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3518.98
    AlogP -11.38
    HBond donors 58
    HBond acceptors 90
    Atoms 512
    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 canSAR351469.