General Information of the Compound
| Compound ID |
CP0434115
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| Compound Name |
AcPYY(26-36)
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| Synonyms |
AcPYY(26-36)
CHEMBL397527
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| Structure |
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| Formula |
C68H106N22O17
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| Molecular Weight |
1503.733
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)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
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| InChI |
InChI=1S/C68H106N22O17/c1-33(2)25-47(85-61(102)49(28-39-15-19-42(94)20-16-39)87-62(103)50(80-37(8)92)29-40-31-76-32-79-40)60(101)88-51(30-53(70)96)63(104)86-48(26-34(3)4)64(105)89-54(35(5)6)65(106)90-55(36(7)91)66(107)83-44(12-10-24-78-68(74)75)57(98)82-45(21-22-52(69)95)59(100)81-43(11-9-23-77-67(72)73)58(99)84-46(56(71)97)27-38-13-17-41(93)18-14-38/h13-20,31-36,43-51,54-55,91,93-94H,9-12,21-30H2,1-8H3,(H2,69,95)(H2,70,96)(H2,71,97)(H,76,79)(H,80,92)(H,81,100)(H,82,98)(H,83,107)(H,84,99)(H,85,102)(H,86,104)(H,87,103)(H,88,101)(H,89,105)(H,90,106)(H4,72,73,77)(H4,74,75,78)/t36-,43+,44+,45+,46+,47+,48+,49+,50+,51+,54+,55+/m1/s1
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| InChIKey |
JFWAFYNFTBNEPH-XATDXXKLSA-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