canSAR867142
FEATURES
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NAMES
    SMILES
    C=CCCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C130H224N32O35/c1-16-19-22-25-28-42-81(143-121(189)92(54-59-106(172)173)153-128(196)99(72-107(174)175)161-126(194)97(70-77(12)13)159-117(185)86(44-30-27-24-21-18-3)154-129(197)100-49-40-65-162(100)79(15)163)111(179)147-87(48-39-64-140-130(138)139)113(181)150-90(52-57-104(168)169)119(187)146-85(47-34-38-63-134)116(184)158-96(69-76(10)11)125(193)160-98(71-102(136)165)127(195)152-91(53-58-105(170)171)120(188)144-82(43-29-26-23-20-17-2)114(182)157-95(68-75(8)9)124(192)151-89(51-56-103(166)167)110(178)141-78(14)109(177)155-93(66-73(4)5)123(191)148-83(45-32-36-61-132)112(180)149-88(50-55-101(135)164)118(186)145-84(46-33-37-62-133)115(183)156-94(67-74(6)7)122(190)142-80(108(137)176)41-31-35-60-131/h16-18,73-78,80-100H,1-3,19-72,131-134H2,4-15H3,(H2,135,164)(H2,136,165)(H2,137,176)(H,141,178)(H,142,190)(H,143,189)(H,144,188)(H,145,186)(H,146,187)(H,147,179)(H,148,191)(H,149,180)(H,150,181)(H,151,192)(H,152,195)(H,153,196)(H,154,197)(H,155,177)(H,156,183)(H,157,182)(H,158,184)(H,159,185)(H,160,193)(H,161,194)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H4,138,139,140)/t78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1
    MOLECULAR FORMULA
    C130H224N32O35
    CROSS REFERENCES
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    canSAR867142
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight2793.67
    AlogP-2.82
    HBond donors44
    HBond acceptors67
    Atoms421
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR867142.