General Information of the Compound
| Compound ID |
CP0950570
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| Compound Name |
Exendin-P5
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| Structure |
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| Formula |
C185H292N50O61S
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| Molecular Weight |
4224.727
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
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| InChI |
InChI=1S/C185H292N50O61S/c1-21-95(16)149(181(293)214-111(52-58-143(256)257)163(275)220-118(73-100-78-196-103-39-26-25-38-101(100)103)169(281)217-113(68-88(2)3)166(278)206-105(41-28-30-61-187)158(270)221-119(74-132(190)241)154(266)199-79-135(244)198-83-138(247)232-63-32-43-127(232)176(288)227-126(87-239)175(287)225-124(85-237)155(267)200-82-136(245)202-98(19)182(294)234-65-34-45-129(234)184(296)235-66-35-46-130(235)183(295)233-64-33-44-128(233)177(289)224-123(84-236)150(192)262)231-173(285)117(72-99-36-23-22-24-37-99)219-167(279)114(69-89(4)5)216-159(271)106(42-31-62-195-185(193)194)213-179(291)147(93(12)13)229-152(264)96(17)203-156(268)108(49-55-140(250)251)209-161(273)109(50-56-141(252)253)210-162(274)110(51-57-142(254)255)211-164(276)112(59-67-297-20)212-160(272)107(48-53-131(189)240)208-157(269)104(40-27-29-60-186)207-174(286)125(86-238)226-168(280)115(70-90(6)7)218-170(282)121(76-144(258)259)205-137(246)81-197-134(243)80-201-178(290)146(92(10)11)228-151(263)97(18)204-165(277)120(75-133(191)242)222-171(283)122(77-145(260)261)223-180(292)148(94(14)15)230-172(284)116(71-91(8)9)215-153(265)102(188)47-54-139(248)249/h22-26,36-39,78,88-98,102,104-130,146-149,196,236-239H,21,27-35,40-77,79-87,186-188H2,1-20H3,(H2,189,240)(H2,190,241)(H2,191,242)(H2,192,262)(H,197,243)(H,198,244)(H,199,266)(H,200,267)(H,201,290)(H,202,245)(H,203,268)(H,204,277)(H,205,246)(H,206,278)(H,207,286)(H,208,269)(H,209,273)(H,210,274)(H,211,276)(H,212,272)(H,213,291)(H,214,293)(H,215,265)(H,216,271)(H,217,281)(H,218,282)(H,219,279)(H,220,275)(H,221,270)(H,222,283)(H,223,292)(H,224,289)(H,225,287)(H,226,280)(H,227,288)(H,228,263)(H,229,264)(H,230,284)(H,231,285)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H4,193,194,195)/t95-,96-,97-,98-,102-,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-,146-,147-,148-,149-/m0/s1
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| InChIKey |
FNXRMYXIFMHONZ-HUKDYVGWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound