1146248 logo
canSAR1146248
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O
    InChI
    InChI=1S/C178H302N56O46/c1-22-26-44-105(208-161(266)119(58-66-137(242)243)222-168(273)126(80-94(13)14)230-174(279)140(95(15)16)232-163(268)120(59-67-138(244)245)220-156(261)113(52-41-75-200-178(193)194)214-167(272)124(78-92(9)10)227-169(274)125(79-93(11)12)228-170(275)128(83-103-86-196-89-202-103)224-147(252)104(182)81-101-42-29-28-30-43-101)148(253)203-98(19)144(249)206-111(50-39-73-198-176(189)190)149(254)204-99(20)145(250)207-118-57-65-136(241)197-72-38-34-49-110(213-166(271)123(77-91(7)8)226-162(267)117(219-160(118)265)56-64-134(186)239)154(259)217-115(54-62-132(184)237)158(263)211-107(46-31-35-69-179)152(257)209-108(47-32-36-70-180)153(258)218-116(55-63-133(185)238)159(264)216-114(53-61-131(183)236)150(255)205-100(21)146(251)223-127(82-102-85-195-88-201-102)171(276)231-130(87-235)173(278)229-129(84-135(187)240)172(277)215-112(51-40-74-199-177(191)192)155(260)210-109(48-33-37-71-181)157(262)225-122(76-90(5)6)165(270)212-106(45-27-23-2)151(256)221-121(60-68-139(246)247)164(269)234-142(97(18)25-4)175(280)233-141(143(188)248)96(17)24-3/h28-30,42-43,85-86,88-100,104-130,140-142,235H,22-27,31-41,44-84,87,179-182H2,1-21H3,(H2,183,236)(H2,184,237)(H2,185,238)(H2,186,239)(H2,187,240)(H2,188,248)(H,195,201)(H,196,202)(H,197,241)(H,203,253)(H,204,254)(H,205,255)(H,206,249)(H,207,250)(H,208,266)(H,209,257)(H,210,260)(H,211,263)(H,212,270)(H,213,271)(H,214,272)(H,215,277)(H,216,264)(H,217,259)(H,218,258)(H,219,265)(H,220,261)(H,221,256)(H,222,273)(H,223,251)(H,224,252)(H,225,262)(H,226,267)(H,227,274)(H,228,275)(H,229,278)(H,230,279)(H,231,276)(H,232,268)(H,233,280)(H,234,269)(H,242,243)(H,244,245)(H,246,247)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t96-,97-,98-,99-,100-,104+,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123+,124-,125-,126-,127-,128-,129-,130-,140-,141-,142-/m0/s1
    MOLECULAR FORMULA
    C178H302N56O46
    CROSS REFERENCES
    1146248 logo

    canSAR1146248

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3960.30
    AlogP -13.94
    HBond donors 71
    HBond acceptors 102
    Atoms 582
    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 canSAR1146248.