canSAR856326
FEATURES
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NAMES
    SMILES
    CCCCN(CP(=O)([O-])O)C(c1ccc(OP(=S)(Oc2ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc2)N(C)/N=C/c2ccc(OP3(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)cc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)cc4)=NP(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)cc4)(Oc4ccc(/C=N/N(C)P(=S)(Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)Oc5ccc(C(N(CCCC)CP(=O)([O-])O)P(=O)([O-])O)cc5)cc4)=N3)cc2)cc1)P(=O)([O-])O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C192H288N27O90P33S6.24Na/c1-19-31-115-208(133-310(220,221)222)181(322(256,257)258)151-55-91-169(92-56-151)298-337(343,299-170-93-57-152(58-94-170)182(323(259,260)261)209(116-32-20-2)134-311(223,224)225)202(13)193-127-145-43-79-163(80-44-145)292-334(293-164-81-45-146(46-82-164)128-194-203(14)338(344,300-171-95-59-153(60-96-171)183(324(262,263)264)210(117-33-21-3)135-312(226,227)228)301-172-97-61-154(62-98-172)184(325(265,266)267)211(118-34-22-4)136-313(229,230)231)199-335(294-165-83-47-147(48-84-165)129-195-204(15)339(345,302-173-99-63-155(64-100-173)185(326(268,269)270)212(119-35-23-5)137-314(232,233)234)303-174-101-65-156(66-102-174)186(327(271,272)273)213(120-36-24-6)138-315(235,236)237,295-166-85-49-148(50-86-166)130-196-205(16)340(346,304-175-103-67-157(68-104-175)187(328(274,275)276)214(121-37-25-7)139-316(238,239)240)305-176-105-69-158(70-106-176)188(329(277,278)279)215(122-38-26-8)140-317(241,242)243)201-336(200-334,296-167-87-51-149(52-88-167)131-197-206(17)341(347,306-177-107-71-159(72-108-177)189(330(280,281)282)216(123-39-27-9)141-318(244,245)246)307-178-109-73-160(74-110-178)190(331(283,284)285)217(124-40-28-10)142-319(247,248)249)297-168-89-53-150(54-90-168)132-198-207(18)342(348,308-179-111-75-161(76-112-179)191(332(286,287)288)218(125-41-29-11)143-320(250,251)252)309-180-113-77-162(78-114-180)192(333(289,290)291)219(126-42-30-12)144-321(253,254)255;;;;;;;;;;;;;;;;;;;;;;;;/h43-114,127-132,181-192H,19-42,115-126,133-144H2,1-18H3,(H2,220,221,222)(H2,223,224,225)(H2,226,227,228)(H2,229,230,231)(H2,232,233,234)(H2,235,236,237)(H2,238,239,240)(H2,241,242,243)(H2,244,245,246)(H2,247,248,249)(H2,250,251,252)(H2,253,254,255)(H2,256,257,258)(H2,259,260,261)(H2,262,263,264)(H2,265,266,267)(H2,268,269,270)(H2,271,272,273)(H2,274,275,276)(H2,277,278,279)(H2,280,281,282)(H2,283,284,285)(H2,286,287,288)(H2,289,290,291);;;;;;;;;;;;;;;;;;;;;;;;/q;24*+1/p-24/b193-127+,194-128+,195-129+,196-130+,197-131+,198-132+;;;;;;;;;;;;;;;;;;;;;;;;
    MOLECULAR FORMULA
    C192H264N27Na24O90P33S6
    CROSS REFERENCES
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    canSAR856326
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight6153.41
    AlogP-47.91
    HBond donors24
    HBond acceptors117
    Atoms636
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856326.