General Information of the Compound
| Compound ID |
CP0487798
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| Compound Name |
3-(4-tert-butylphenyl)-3-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
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| Structure |
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| Formula |
C24H26ClN3O3
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| Molecular Weight |
439.943
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| Canonical SMILES |
Cc1nn(c(Cl)c1C(=O)NC(CC(O)=O)c1ccc(cc1)C(C)(C)C)-c1ccccc1
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| InChI |
InChI=1S/C24H26ClN3O3/c1-15-21(22(25)28(27-15)18-8-6-5-7-9-18)23(31)26-19(14-20(29)30)16-10-12-17(13-11-16)24(2,3)4/h5-13,19H,14H2,1-4H3,(H,26,31)(H,29,30)
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| InChIKey |
MZIXNJVVDALVHH-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