General Information of the Compound
| Compound ID |
CP0377257
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| Compound Name |
2-[2-(4-Chloro-phenyl)-2-phenyl-acetylamino]-5-guanidino-pentanoic acid (S)-indan-1-ylamide
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| Structure |
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| Formula |
C29H32ClN5O2
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| Molecular Weight |
518.061
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc12
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| InChI |
InChI=1S/C29H32ClN5O2/c30-22-15-12-21(13-16-22)26(20-8-2-1-3-9-20)28(37)35-25(11-6-18-33-29(31)32)27(36)34-24-17-14-19-7-4-5-10-23(19)24/h1-5,7-10,12-13,15-16,24-26H,6,11,14,17-18H2,(H,34,36)(H,35,37)(H4,31,32,33)/t24-,25?,26?/m0/s1
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| InChIKey |
GUAYHTLGOSYHNP-IHSPPPAMSA-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