canSAR1932034
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N4)NC(=O)[C@@H](CCCNC(=N)N)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C3=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N2
    InChI
    InChI=1S/C135H211N47O46S6/c1-10-63(8)104-128(225)174-83-56-231-230-55-82-121(218)165-70(20-13-33-148-134(142)143)113(210)164-71(21-14-34-149-135(144)145)114(211)167-76(42-100(198)199)117(214)170-80(53-185)120(217)168-77(43-101(200)201)118(215)175-85-58-233-229-54-81(173-116(213)73(39-65-25-27-66(186)28-26-65)158-94(191)48-153-109(206)74(40-91(137)188)159-95(192)47-152-108(205)69(163-122(83)219)19-12-32-147-133(140)141)112(209)155-50-96(193)160-78(51-183)111(208)154-49-97(194)161-79(52-184)119(216)166-75(41-99(196)197)110(207)151-44-92(189)150-45-98(195)177-102(61(4)5)127(224)176-86(59-234-232-57-84(123(220)179-104)171-106(203)64(9)157-93(190)46-156-124(221)87-22-15-35-180(87)129(85)226)130(227)181-36-16-24-89(181)126(223)178-103(62(6)7)131(228)182-37-17-23-88(182)125(222)169-72(38-60(2)3)115(212)162-68(29-30-90(136)187)105(202)67(107(204)172-82)18-11-31-146-132(138)139/h25-28,60-64,67-89,102-104,183-186H,10-24,29-59H2,1-9H3,(H2,136,187)(H2,137,188)(H,150,189)(H,151,207)(H,152,205)(H,153,206)(H,154,208)(H,155,209)(H,156,221)(H,157,190)(H,158,191)(H,159,192)(H,160,193)(H,161,194)(H,162,212)(H,163,219)(H,164,210)(H,165,218)(H,166,216)(H,167,211)(H,168,217)(H,169,222)(H,170,214)(H,171,203)(H,172,204)(H,173,213)(H,174,225)(H,175,215)(H,176,224)(H,177,195)(H,178,223)(H,179,220)(H,196,197)(H,198,199)(H,200,201)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t63-,64-,67?,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83?,84-,85-,86-,87-,88-,89-,102-,103?,104-/m0/s1
    MOLECULAR FORMULA
    C135H211N47O46S6
    CROSS REFERENCES
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    canSAR1932034
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight3418.39
    AlogP-21.73
    HBond donors57
    HBond acceptors93
    Atoms445
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932034.