General Information of the Compound
| Compound ID |
CP0372197
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxybutylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-N-[(2S)-5-carbamimidamido-1-hydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminopentan-2-yl]pentanediimidic acid
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| Synonyms |
PYY(25-36)
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| Structure |
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| Formula |
C72H116N26O17
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| Molecular Weight |
1617.885
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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(=O)[C@@H](N)CCCN=C(N)N)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/C72H116N26O17/c1-35(2)27-49(93-64(110)51(30-40-16-20-43(101)21-17-40)95-65(111)52(31-41-33-83-34-87-41)92-59(105)44(73)11-8-24-84-70(77)78)63(109)96-53(32-55(75)103)66(112)94-50(28-36(3)4)67(113)97-56(37(5)6)68(114)98-57(38(7)99)69(115)90-46(13-10-26-86-72(81)82)60(106)89-47(22-23-54(74)102)62(108)88-45(12-9-25-85-71(79)80)61(107)91-48(58(76)104)29-39-14-18-42(100)19-15-39/h14-21,33-38,44-53,56-57,99-101H,8-13,22-32,73H2,1-7H3,(H2,74,102)(H2,75,103)(H2,76,104)(H,83,87)(H,88,108)(H,89,106)(H,90,115)(H,91,107)(H,92,105)(H,93,110)(H,94,112)(H,95,111)(H,96,109)(H,97,113)(H,98,114)(H4,77,78,84)(H4,79,80,85)(H4,81,82,86)/t38-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,56+,57+/m1/s1
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| InChIKey |
DSTSETSWKNIEJI-UAEPIRMISA-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