General Information of the Compound
| Compound ID |
CP0528734
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| Compound Name |
(2R)-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)-2-(3,3-diphenylprop-2-enoylamino)pentanamide
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| Structure |
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| Formula |
C23H28N6O3
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| Molecular Weight |
436.516
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| Canonical SMILES |
NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)C=C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C23H28N6O3/c24-20(30)15-28-22(32)19(12-7-13-27-23(25)26)29-21(31)14-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,14,19H,7,12-13,15H2,(H2,24,30)(H,28,32)(H,29,31)(H4,25,26,27)/t19-/m1/s1
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| InChIKey |
LCMPJODVRWZXLL-LJQANCHMSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2
Protein ID: PT01360, Nociceptin receptor
Protein ID: PT07717, Prolactin-releasing peptide
Protein ID: PT05331, Pyroglutamylated RF-amide peptide receptor