General Information of the Compound
| Compound ID |
CP0853426
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| Compound Name |
(R)-Nalpha-Diphenylacetyl-[4-(4-aminobutylaminocarbonylaminomethyl)benzyl]argininamide bis(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C35H45F3N8O5
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| Molecular Weight |
714.79
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| Canonical SMILES |
N=C(N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(=O)NCCCCN)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C33H44N8O3.C2HF3O2/c34-19-7-8-20-38-33(44)40-23-25-17-15-24(16-18-25)22-39-30(42)28(14-9-21-37-32(35)36)41-31(43)29(26-10-3-1-4-11-26)27-12-5-2-6-13-27;3-2(4,5)1(6)7/h1-6,10-13,15-18,28-29H,7-9,14,19-23,34H2,(H,39,42)(H,41,43)(H4,35,36,37)(H2,38,40,44);(H,6,7)/t28-;/m1./s1
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| InChIKey |
CPDDBXYDWYZYDF-LNLSOMNWSA-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: PT01909, Neuropeptide Y receptor type 4