canSAR163202
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)C(C)C
    InChI
    InChI=1S/C188H302N56O44S2/c1-91(2)55-123(219-149(249)81-207-163(261)135(67-111-77-199-87-209-111)231-179(277)137(69-113-79-201-89-211-113)233-173(271)129(61-97(13)14)227-171(269)127(59-95(9)10)223-157(255)105(27)213-167(265)139(71-145(195)245)235-175(273)131(63-99(17)18)229-177(275)133(225-159(257)117(193)45-35-39-51-189)65-109-75-203-119-47-33-31-43-115(109)119)169(267)237-141(73-147(197)247)181(279)241-143(183(281)215-103(25)155(253)221-121(49-37-41-53-191)161(259)205-83-151(251)243-153(101(21)22)185(283)239-125(57-93(5)6)165(263)217-107(29)187(285)286)85-289-290-86-144(184(282)216-104(26)156(254)222-122(50-38-42-54-192)162(260)206-84-152(252)244-154(102(23)24)186(284)240-126(58-94(7)8)166(264)218-108(30)188(287)288)242-182(280)142(74-148(198)248)238-170(268)124(56-92(3)4)220-150(250)82-208-164(262)136(68-112-78-200-88-210-112)232-180(278)138(70-114-80-202-90-212-114)234-174(272)130(62-98(15)16)228-172(270)128(60-96(11)12)224-158(256)106(28)214-168(266)140(72-146(196)246)236-176(274)132(64-100(19)20)230-178(276)134(226-160(258)118(194)46-36-40-52-190)66-110-76-204-120-48-34-32-44-116(110)120/h31-34,43-44,47-48,75-80,87-108,117-118,121-144,153-154,203-204H,35-42,45-46,49-74,81-86,189-194H2,1-30H3,(H2,195,245)(H2,196,246)(H2,197,247)(H2,198,248)(H,199,209)(H,200,210)(H,201,211)(H,202,212)(H,205,259)(H,206,260)(H,207,261)(H,208,262)(H,213,265)(H,214,266)(H,215,281)(H,216,282)(H,217,263)(H,218,264)(H,219,249)(H,220,250)(H,221,253)(H,222,254)(H,223,255)(H,224,256)(H,225,257)(H,226,258)(H,227,269)(H,228,270)(H,229,275)(H,230,276)(H,231,277)(H,232,278)(H,233,271)(H,234,272)(H,235,273)(H,236,274)(H,237,267)(H,238,268)(H,239,283)(H,240,284)(H,241,279)(H,242,280)(H,243,251)(H,244,252)(H,285,286)(H,287,288)/t103-,104-,105-,106-,107-,108-,117-,118-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,153-,154-/m0/s1
    MOLECULAR FORMULA
    C188H302N56O44S2
    CROSS REFERENCES
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    canSAR163202
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight4112.26
    AlogP-9.61
    HBond donors64
    HBond acceptors100
    Atoms592
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR163202.