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canSAR468344
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2CC1C(=O)N1CC2CCCCC2C1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1Cc2ccccc2CC1C(=O)N1CC2CCCCC2C1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1Cc2ccccc2CC1C(=O)N1CC2CCCCC2C1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1Cc2ccccc2CC1C(=O)N1CC2CCCCC2C1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1Cc2ccccc2CC1C(=O)N1CC2CCCCC2C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CO)C(N)=O
    InChI
    InChI=1S/C173H247N33O36S2/c1-94(2)67-124(191-151(220)118(176)57-59-143(215)216)155(224)188-120(61-65-243-9)154(223)194-127(77-138(178)210)158(227)196-131(93-208)168(237)201-86-107-44-20-15-39-102(107)75-136(201)172(241)205-90-111-48-24-29-53-116(111)148(205)162(231)183-81-142(214)187-129(70-97(7)8)167(236)200-85-106-43-19-14-38-101(106)74-135(200)170(239)203-88-109-46-22-26-50-113(109)145(203)159(228)180-78-139(211)184-122(55-31-33-63-174)164(233)197-82-103-40-16-11-35-98(103)71-132(197)169(238)202-87-108-45-21-28-52-115(108)147(202)161(230)182-80-141(213)186-128(69-96(5)6)166(235)199-84-105-42-18-13-37-100(105)73-134(199)171(240)204-89-110-47-23-27-51-114(110)146(204)160(229)181-79-140(212)185-123(56-32-34-64-175)165(234)198-83-104-41-17-12-36-99(104)72-133(198)173(242)206-91-112-49-25-30-54-117(112)149(206)163(232)190-119(58-60-144(217)218)152(221)192-125(68-95(3)4)156(225)189-121(62-66-244-10)153(222)193-126(76-137(177)209)157(226)195-130(92-207)150(179)219/h11-20,35-44,94-97,108-136,145-149,207-208H,21-34,45-93,174-176H2,1-10H3,(H2,177,209)(H2,178,210)(H2,179,219)(H,180,228)(H,181,229)(H,182,230)(H,183,231)(H,184,211)(H,185,212)(H,186,213)(H,187,214)(H,188,224)(H,189,225)(H,190,232)(H,191,220)(H,192,221)(H,193,222)(H,194,223)(H,195,226)(H,196,227)(H,215,216)(H,217,218)/t108?,109?,110?,111?,112?,113?,114?,115?,116?,117?,118-,119+,120-,121+,122-,123-,124-,125-,126-,127-,128-,129-,130+,131-,132?,133?,134?,135?,136?,145?,146?,147?,148?,149?/m0/s1
    MOLECULAR FORMULA
    C173H247N33O36S2
    CROSS REFERENCES
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    canSAR468344

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3426.80
    AlogP -0.17
    HBond donors 33
    HBond acceptors 69
    Atoms 491
    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 canSAR468344.