General Information of the Compound
| Compound ID |
CP0917050
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| Compound Name |
Tyr-Pro-Ser-Lys-Pro-Ala-Asn-Pro-Gly-Ala-Arg-Tyr-Tyr-Ser-Ala-Leu-Arg-His-Tyr-Ile-Asn-Leu-Ile-Thr-Arg-Gln-Arg-Tyr
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| Structure |
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| Formula |
C162H246N48O42
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| Molecular Weight |
3538.044
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC
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| InChI |
InChI=1S/C162H246N48O42/c1-14-83(7)127(151(245)199-113(74-124(166)220)140(234)193-109(67-82(5)6)142(236)204-128(84(8)15-2)152(246)205-129(88(12)213)153(247)189-103(29-20-60-180-161(173)174)133(227)188-104(55-56-123(165)219)136(230)186-101(27-18-58-178-159(169)170)134(228)192-107(130(168)224)69-90-37-47-96(215)48-38-90)203-143(237)111(71-92-41-51-98(217)52-42-92)194-139(233)112(73-94-77-177-80-182-94)195-135(229)102(28-19-59-179-160(171)172)187-137(231)108(66-81(3)4)196-147(241)119-32-22-62-207(119)154(248)87(11)185-144(238)116(78-211)201-138(232)110(70-91-39-49-97(216)50-40-91)197-150(244)122(72-93-43-53-99(218)54-44-93)206(13)156(250)105(30-21-61-181-162(175)176)190-132(226)86(10)183-131(225)85(9)184-146(240)118-31-24-65-210(118)158(252)115(75-125(167)221)200-141(235)114(76-126(222)223)198-148(242)121-34-25-64-209(121)157(251)106(26-16-17-57-163)191-145(239)117(79-212)202-149(243)120-33-23-63-208(120)155(249)100(164)68-89-35-45-95(214)46-36-89/h35-54,77,80-88,100-122,127-129,211-218H,14-34,55-76,78-79,163-164H2,1-13H3,(H2,165,219)(H2,166,220)(H2,167,221)(H2,168,224)(H,177,182)(H,183,225)(H,184,240)(H,185,238)(H,186,230)(H,187,231)(H,188,227)(H,189,247)(H,190,226)(H,191,239)(H,192,228)(H,193,234)(H,194,233)(H,195,229)(H,196,241)(H,197,244)(H,198,242)(H,199,245)(H,200,235)(H,201,232)(H,202,243)(H,203,237)(H,204,236)(H,205,246)(H,222,223)(H4,169,170,178)(H4,171,172,179)(H4,173,174,180)(H4,175,176,181)/t83-,84-,85-,86-,87-,88+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,127-,128-,129-/m0/s1
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| InChIKey |
GRWPYOFRVUAZMP-OHXBPSTBSA-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
Protein ID: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01611, Neuropeptide Y receptor type 2