General Information of the Compound
| Compound ID |
CP0403975
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| Compound Name |
2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-guanidino-pentanoic acid benzylamide
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| Structure |
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| Formula |
C27H30ClN5O2
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| Molecular Weight |
492.023
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C27H30ClN5O2/c28-22-15-13-21(14-16-22)24(20-10-5-2-6-11-20)26(35)33-23(12-7-17-31-27(29)30)25(34)32-18-19-8-3-1-4-9-19/h1-6,8-11,13-16,23-24H,7,12,17-18H2,(H,32,34)(H,33,35)(H4,29,30,31)
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| InChIKey |
YXEWOFIFVMEZPI-UHFFFAOYSA-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