General Information of the Compound
| Compound ID |
CP0845121
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| Compound Name |
1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,15-trioxo-2,8,10,16-tetraazaoctadec-9-en-18-yl)-4-((E)-2-(1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)ethenyl)-2,6-dimethylpyridinium-hydrotrifluoroacetate
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| Structure |
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| Formula |
C57H65F3N8O7
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| Molecular Weight |
1031.19
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| Canonical SMILES |
Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C55H64N8O5.C2HF3O2/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44;3-2(4,5)1(6)7/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68);(H,6,7)/t48-;/m1./s1
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| InChIKey |
BXHZCNWQGSRNJG-AKZQISGYSA-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: PT01909, Neuropeptide Y receptor type 4
Protein ID: PT01795, Neuropeptide Y receptor type 5