737823 logo
canSAR737823
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cn(CC(=O)N(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCNC(=O)CN(CCN)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cc3cc(-c4c(OCCN)cccc4OCCN)[nH]c3nc2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cc3cc(-c4c(OCCN)cccc4OCCN)[nH]c3nc2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2cc3cc(-c4c(OCCN)cccc4OCCN)[nH]c3nc2=O)C(=O)Cn2cc(C)c(=O)[nH]c2=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)C(=O)Cn2ccc(N)nc2=O)CC(=O)NCCN(CC(N)=O)C(=O)Cn2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]c1=O
    InChI
    InChI=1S/C175H218N78O49/c1-95-57-242(172(293)224-154(95)280)78-126(268)231(67-115(257)190-22-36-229(64-112(184)254)134(276)86-250-91-203-142-150(250)215-164(186)220-159(142)285)38-25-193-114(256)66-230(125(267)77-241-34-14-111(183)210-168(241)289)37-23-192-122(264)74-238(135(277)87-251-92-204-143-151(251)216-165(187)221-160(143)286)45-31-199-116(258)68-233(128(270)80-244-59-97(3)156(282)226-174(244)295)40-27-195-120(262)72-236(131(273)83-247-62-100-55-103(208-147(100)212-170(247)291)139-107(299-50-18-179)10-6-11-108(139)300-51-19-180)43-29-198-124(266)76-240(137(279)89-253-94-206-145-153(253)218-167(189)223-162(145)288)47-33-201-118(260)70-234(129(271)81-245-60-98(4)157(283)227-175(245)296)41-28-196-121(263)73-237(132(274)84-248-63-101-56-104(209-148(101)213-171(248)292)140-109(301-52-20-181)12-7-13-110(140)302-53-21-182)44-30-197-123(265)75-239(136(278)88-252-93-205-144-152(252)217-166(188)222-161(144)287)46-32-200-117(259)69-232(127(269)79-243-58-96(2)155(281)225-173(243)294)39-26-194-119(261)71-235(42-24-191-113(255)65-228(35-15-176)133(275)85-249-90-202-141-149(249)214-163(185)219-158(141)284)130(272)82-246-61-99-54-102(207-146(99)211-169(246)290)138-105(297-48-16-177)8-5-9-106(138)298-49-17-178/h5-14,34,54-63,90-94H,15-33,35-53,64-89,176-182H2,1-4H3,(H2,184,254)(H,190,257)(H,191,255)(H,192,264)(H,193,256)(H,194,261)(H,195,262)(H,196,263)(H,197,265)(H,198,266)(H,199,258)(H,200,259)(H,201,260)(H2,183,210,289)(H,207,211,290)(H,208,212,291)(H,209,213,292)(H,224,280,293)(H,225,281,294)(H,226,282,295)(H,227,283,296)(H3,185,214,219,284)(H3,186,215,220,285)(H3,187,216,221,286)(H3,188,217,222,287)(H3,189,218,223,288)
    MOLECULAR FORMULA
    C175H218N78O49
    CROSS REFERENCES
    737823 logo

    canSAR737823

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 4195.70
    AlogP -26.31
    HBond donors 52
    HBond acceptors 127
    Atoms 520
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR737823.