General Information of the Compound
| Compound ID |
CP0528395
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| Compound Name |
methyl 3-[[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]amino]propanoate
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| Structure |
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| Formula |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
COC(=O)CCNC(=O)c1cn(nc1-c1ccccc1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C21H21N3O3/c1-15-8-10-17(11-9-15)24-14-18(21(26)22-13-12-19(25)27-2)20(23-24)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,22,26)
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| InChIKey |
INTTXTJVEZUDKM-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