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canSAR830668
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O
    InChI
    InChI=1S/C161H258N46O59/c1-21-76(15)125(206-154(260)107(69-212)198-137(243)91(42-48-117(224)225)185-142(248)96(56-83-34-27-24-28-35-83)195-157(263)123(74(11)12)202-139(245)89(40-46-110(166)216)184-145(251)101(61-119(228)229)193-140(246)93(52-70(3)4)188-130(236)80(19)178-156(262)122(73(9)10)203-149(255)100(60-114(170)220)190-131(237)84(163)55-82-32-25-23-26-33-82)159(265)187-92(43-49-118(226)227)135(241)191-99(59-113(169)219)144(250)200-104(66-209)151(257)186-87(38-44-108(164)214)133(239)176-79(18)129(235)189-95(54-72(7)8)147(253)204-124(75(13)14)158(264)196-102(62-120(230)231)146(252)183-88(39-45-109(165)215)136(242)197-105(67-210)152(258)192-98(58-112(168)218)143(249)182-86(37-31-51-173-161(171)172)138(244)205-126(77(16)22-2)160(266)194-94(53-71(5)6)141(247)199-106(68-211)153(259)201-103(65-208)150(256)177-78(17)128(234)180-90(41-47-116(222)223)134(240)181-85(36-29-30-50-162)132(238)174-63-115(221)179-97(57-111(167)217)148(254)207-127(81(20)213)155(261)175-64-121(232)233/h23-28,32-35,70-81,84-107,122-127,208-213H,21-22,29-31,36-69,162-163H2,1-20H3,(H2,164,214)(H2,165,215)(H2,166,216)(H2,167,217)(H2,168,218)(H2,169,219)(H2,170,220)(H,174,238)(H,175,261)(H,176,239)(H,177,256)(H,178,262)(H,179,221)(H,180,234)(H,181,240)(H,182,249)(H,183,252)(H,184,251)(H,185,248)(H,186,257)(H,187,265)(H,188,236)(H,189,235)(H,190,237)(H,191,241)(H,192,258)(H,193,246)(H,194,266)(H,195,263)(H,196,264)(H,197,242)(H,198,243)(H,199,247)(H,200,250)(H,201,259)(H,202,245)(H,203,255)(H,204,253)(H,205,244)(H,206,260)(H,207,254)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H4,171,172,173)/t76-,77-,78-,79-,80-,81+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,122-,123-,124-,125-,126-,127-/m0/s1
    MOLECULAR FORMULA
    C161H258N46O59
    CROSS REFERENCES
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    canSAR830668

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3779.86
    AlogP -23.54
    HBond donors 68
    HBond acceptors 105
    Atoms 524
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR830668.