canSAR288996
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H](NC(=O)CN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CN)C(N)=O)C(N)=O
    InChI
    InChI=1S/C116H228N66O24S2/c117-41-5-1-21-63(165-87(189)61(163-83(185)57-121)25-9-45-151-105(127)128)89(191)167-65(23-3-7-43-119)91(193)169-67(27-11-47-153-107(131)132)93(195)173-73(33-17-53-159-113(143)144)99(201)179-77(37-39-81(123)183)103(205)177-71(31-15-51-157-111(139)140)97(199)171-69(29-13-49-155-109(135)136)95(197)175-75(35-19-55-161-115(147)148)101(203)181-79(85(125)187)59-207-208-60-80(86(126)188)182-102(204)76(36-20-56-162-116(149)150)176-96(198)70(30-14-50-156-110(137)138)172-98(200)72(32-16-52-158-112(141)142)178-104(206)78(38-40-82(124)184)180-100(202)74(34-18-54-160-114(145)146)174-94(196)68(28-12-48-154-108(133)134)170-92(194)66(24-4-8-44-120)168-90(192)64(22-2-6-42-118)166-88(190)62(164-84(186)58-122)26-10-46-152-106(129)130/h61-80H,1-60,117-122H2,(H2,123,183)(H2,124,184)(H2,125,187)(H2,126,188)(H,163,185)(H,164,186)(H,165,189)(H,166,190)(H,167,191)(H,168,192)(H,169,193)(H,170,194)(H,171,199)(H,172,200)(H,173,195)(H,174,196)(H,175,197)(H,176,198)(H,177,205)(H,178,206)(H,179,201)(H,180,202)(H,181,203)(H,182,204)(H4,127,128,151)(H4,129,130,152)(H4,131,132,153)(H4,133,134,154)(H4,135,136,155)(H4,137,138,156)(H4,139,140,157)(H4,141,142,158)(H4,143,144,159)(H4,145,146,160)(H4,147,148,161)(H4,149,150,162)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m1/s1
    MOLECULAR FORMULA
    C116H228N66O24S2
    CROSS REFERENCES
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    canSAR288996
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2993.81
    AlogP-22.84
    HBond donors88
    HBond acceptors90
    Atoms436
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR288996.