General Information of the Compound
| Compound ID |
CP0492234
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| Compound Name |
(2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide
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| Structure |
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| Formula |
C28H32N6O3
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| Molecular Weight |
500.603
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| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccccc1
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| InChI |
InChI=1S/C28H32N6O3/c29-25(35)24(21-15-8-3-9-16-21)34-26(36)22(17-10-18-32-28(30)31)33-27(37)23(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-9,11-16,22-24H,10,17-18H2,(H2,29,35)(H,33,37)(H,34,36)(H4,30,31,32)/t22-,24-/m1/s1
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| InChIKey |
VREKBHVPVINEDT-ISKFKSNPSA-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