General Information of the Compound
| Compound ID |
CP0398311
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| Compound Name |
N-[(2S)-5-(1-aminoethylideneamino)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C27H39N5O3
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| Molecular Weight |
481.641
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| Canonical SMILES |
CC(=N)NCCC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C27H39N5O3/c1-17(28)30-9-5-8-22(25(34)31-23(24(29)33)13-18-6-3-2-4-7-18)32-26(35)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-4,6-7,19-23H,5,8-16H2,1H3,(H2,28,30)(H2,29,33)(H,31,34)(H,32,35)/t19?,20?,21?,22-,23-,27?/m0/s1
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| InChIKey |
ZSNBKIJZDPKMTI-VTZSGNMKSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2