General Information of the Compound
| Compound ID |
CP0449895
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| Compound Name |
methyl 1-(2-phenylethyl)-4-(3-phenylpropanoylamino)pyrazole-3-carboxylate
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
COC(=O)c1nn(CCc2ccccc2)cc1NC(=O)CCc1ccccc1
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| InChI |
InChI=1S/C22H23N3O3/c1-28-22(27)21-19(23-20(26)13-12-17-8-4-2-5-9-17)16-25(24-21)15-14-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,23,26)
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| InChIKey |
NWRGKEXTHLEOQX-UHFFFAOYSA-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