General Information of the Compound
| Compound ID |
CP0372200
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| Compound Name |
AcNPY(25-36)
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| Synonyms |
AcNPY(25-36)
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| Structure |
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| Formula |
C76H119N27O18
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| Molecular Weight |
1698.959
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| Canonical SMILES |
CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O
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| InChI |
InChI=1S/C76H119N27O18/c1-6-40(4)61-73(121)97-52(68(116)93-49(14-10-30-89-75(82)83)64(112)96-51(24-26-58(77)107)67(115)94-50(15-11-31-90-76(84)85)65(113)98-53(62(79)110)33-42-16-20-45(105)21-17-42)25-27-60(109)87-28-8-7-12-48(66(114)102-57(36-59(78)108)71(119)99-54(32-39(2)3)72(120)103-61)95-69(117)55(34-43-18-22-46(106)23-19-43)100-70(118)56(35-44-37-86-38-91-44)101-63(111)47(92-41(5)104)13-9-29-88-74(80)81/h16-23,37-40,47-57,61,105-106H,6-15,24-36H2,1-5H3,(H2,77,107)(H2,78,108)(H2,79,110)(H,86,91)(H,87,109)(H,92,104)(H,93,116)(H,94,115)(H,95,117)(H,96,112)(H,97,121)(H,98,113)(H,99,119)(H,100,118)(H,101,111)(H,102,114)(H,103,120)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)/t40-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,61+/m1/s1
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| InChIKey |
RDOFKMDVEDQFIJ-WQSAXVMWSA-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
Protein ID: PT01795, Neuropeptide Y receptor type 5
Clinical Information about the Compound