General Information of the Compound
| Compound ID |
CP0486109
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| Compound Name |
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-phenyl-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C18H20N4OS
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| Molecular Weight |
340.452
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| Canonical SMILES |
CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccccc1)c1cccs1
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| InChI |
InChI=1S/C18H20N4OS/c1-22(2)15(16-9-6-10-24-16)12-19-18(23)14-11-20-21-17(14)13-7-4-3-5-8-13/h3-11,15H,12H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1
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| InChIKey |
XNXMBYQMBLKZGS-OAHLLOKOSA-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