canSAR2101014
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCl)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]1(C)CCCC=CCCC[C@@](C)(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC1=O)[C@@H](C)CC
    InChI
    InChI=1S/C117H182ClN33O30/c1-15-61(6)90-108(177)131-59-87(157)136-83(57-89(160)161)107(176)151-116(13,111(180)147-81(53-68-30-23-22-24-31-68)104(173)145-82(56-86(120)156)101(170)133-65(10)96(165)142-80(55-70-37-41-72(154)42-38-70)103(172)144-79(54-69-35-39-71(153)40-36-69)100(169)132-64(9)94(163)138-74(33-28-50-129-114(124)125)97(166)137-73(93(121)162)32-27-49-128-113(122)123)47-25-20-18-19-21-26-48-117(14,112(181)149-90)150-106(175)75(34-29-51-130-115(126)127)140-102(171)78(52-60(4)5)143-99(168)77(44-46-88(158)159)141-98(167)76(43-45-85(119)155)139-95(164)66(11)134-109(178)92(63(8)17-3)148-105(174)84(58-118)146-110(179)91(62(7)16-2)135-67(12)152/h18-19,22-24,30-31,35-42,60-66,73-84,90-92,153-154H,15-17,20-21,25-29,32-34,43-59H2,1-14H3,(H2,119,155)(H2,120,156)(H2,121,162)(H,131,177)(H,132,169)(H,133,170)(H,134,178)(H,135,152)(H,136,157)(H,137,166)(H,138,163)(H,139,164)(H,140,171)(H,141,167)(H,142,165)(H,143,168)(H,144,172)(H,145,173)(H,146,179)(H,147,180)(H,148,174)(H,149,181)(H,150,175)(H,151,176)(H,158,159)(H,160,161)(H4,122,123,128)(H4,124,125,129)(H4,126,127,130)/t61-,62-,63-,64-,65-,66-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,90-,91-,92-,116-,117-/m0/s1
    MOLECULAR FORMULA
    C117H182ClN33O30
    CROSS REFERENCES
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    canSAR2101014
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2564.34
    AlogP-6.11
    HBond donors43
    HBond acceptors63
    Atoms363
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2101014.