General Information of the Compound
| Compound ID |
CP0478139
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| Compound Name |
4-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide
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| Structure |
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| Formula |
C16H20N4O2S
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| Molecular Weight |
332.429
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| Canonical SMILES |
CN(C)[C@H](CNC(=O)Nc1ccc(cc1)C(N)=O)c1cccs1
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| InChI |
InChI=1S/C16H20N4O2S/c1-20(2)13(14-4-3-9-23-14)10-18-16(22)19-12-7-5-11(6-8-12)15(17)21/h3-9,13H,10H2,1-2H3,(H2,17,21)(H2,18,19,22)/t13-/m1/s1
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| InChIKey |
KNUSHZZSYZIYLV-CYBMUJFWSA-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: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor