General Information of the Compound
| Compound ID |
CP0499810
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| Compound Name |
1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C17H14F3N5O
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| Molecular Weight |
361.327
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| Canonical SMILES |
Nc1cc([nH]n1)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C17H14F3N5O/c18-17(19,20)11-2-1-3-13(8-11)23-16(26)22-12-6-4-10(5-7-12)14-9-15(21)25-24-14/h1-9H,(H3,21,24,25)(H2,22,23,26)
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| InChIKey |
OMQAFHLIHGBNRS-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