canSAR823905
FEATURES
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NAMES
    SMILES
    CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
    InChI
    InChI=1S/C137H198N38O44S/c1-67(2)52-89(120(204)158-83(18-11-46-148-137(144)145)116(200)165-92(57-76-62-146-66-150-76)123(207)161-88(110(141)194)54-73-25-33-78(179)34-26-73)162-113(197)69(4)152-126(210)97(64-176)170-122(206)91(56-75-29-37-80(181)38-30-75)164-121(205)90(55-74-27-35-79(180)36-28-74)163-115(199)82(17-10-45-147-136(142)143)156-111(195)68(3)151-114(198)86(43-51-220-7)159-124(208)94(60-108(190)191)167-118(202)85(40-42-106(186)187)157-112(196)70(5)153-129(213)100-20-13-47-172(100)132(216)71(6)154-119(203)93(59-107(188)189)166-117(201)84(39-41-105(184)185)155-104(183)63-149-128(212)99-19-12-49-174(99)135(219)96(58-103(140)182)169-125(209)95(61-109(192)193)168-130(214)102-22-15-50-175(102)134(218)87(16-8-9-44-138)160-127(211)98(65-177)171-131(215)101-21-14-48-173(101)133(217)81(139)53-72-23-31-77(178)32-24-72/h23-38,62,66-71,81-102,176-181H,8-22,39-61,63-65,138-139H2,1-7H3,(H2,140,182)(H2,141,194)(H,146,150)(H,149,212)(H,151,198)(H,152,210)(H,153,213)(H,154,203)(H,155,183)(H,156,195)(H,157,196)(H,158,204)(H,159,208)(H,160,211)(H,161,207)(H,162,197)(H,163,199)(H,164,205)(H,165,200)(H,166,201)(H,167,202)(H,168,214)(H,169,209)(H,170,206)(H,171,215)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H4,142,143,147)(H4,144,145,148)/t68-,69-,70-,71-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-/m0/s1
    MOLECULAR FORMULA
    C137H198N38O44S
    CROSS REFERENCES
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    canSAR823905
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3111.41
    AlogP-13.63
    HBond donors50
    HBond acceptors82
    Atoms418
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823905.