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canSAR1267753
FEATURES
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NAMES
    SMILES
    C=CCOC(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCc5cn(CC(=O)NCCCC[C@H](NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6cnc[nH]6)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc6ccc(O)cc6)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O)nn5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C182H286N44O57/c1-23-70-282-177(281)182-64-58-101(92(12)13)146(182)102-37-47-128-179(20)62-60-129(178(18,19)127(179)59-63-181(128,22)180(102,21)65-66-182)283-145(253)57-34-98-82-226(225-224-98)83-139(242)194-68-29-27-30-103(150(192)254)198-138(241)61-69-195-151(255)114(71-88(4)5)209-162(266)115(72-89(6)7)210-160(264)111(44-54-142(247)248)203-154(258)106(39-49-131(185)234)201-157(261)110(43-53-141(245)246)206-166(270)121(78-135(189)238)214-152(256)104(31-26-28-67-183)199-156(260)109(42-52-140(243)244)202-153(257)105(38-48-130(184)233)200-155(259)107(40-50-132(186)235)205-165(269)122(79-136(190)239)215-159(263)108(41-51-133(187)236)207-171(275)124(84-227)218-161(265)112(45-55-143(249)250)204-158(262)113(46-56-144(251)252)208-174(278)147(93(14)24-2)221-168(272)116(73-90(8)9)211-172(276)125(85-228)219-163(267)119(76-99-81-193-87-196-99)217-175(279)148(94(15)25-3)222-169(273)117(74-91(10)11)212-173(277)126(86-229)220-176(280)149(95(16)230)223-170(274)118(75-97-32-35-100(232)36-33-97)213-167(271)123(80-137(191)240)216-164(268)120(77-134(188)237)197-96(17)231/h23,32-33,35-36,81-82,87-91,93-95,101-129,146-149,227-230,232H,1,12,24-31,34,37-80,83-86,183H2,2-11,13-22H3,(H2,184,233)(H2,185,234)(H2,186,235)(H2,187,236)(H2,188,237)(H2,189,238)(H2,190,239)(H2,191,240)(H2,192,254)(H,193,196)(H,194,242)(H,195,255)(H,197,231)(H,198,241)(H,199,260)(H,200,259)(H,201,261)(H,202,257)(H,203,258)(H,204,262)(H,205,269)(H,206,270)(H,207,275)(H,208,278)(H,209,266)(H,210,264)(H,211,276)(H,212,277)(H,213,271)(H,214,256)(H,215,263)(H,216,268)(H,217,279)(H,218,265)(H,219,267)(H,220,280)(H,221,272)(H,222,273)(H,223,274)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)/t93-,94-,95+,101-,102+,103-,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-,146+,147-,148-,149-,179-,180+,181+,182-/m0/s1
    MOLECULAR FORMULA
    C182H286N44O57
    CROSS REFERENCES
    1267753 logo

    canSAR1267753

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 4000.08
    AlogP -11.54
    HBond donors 60
    HBond acceptors 101
    Atoms 569
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1267753.