General Information of the Compound
| Compound ID |
CP0485361
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| Compound Name |
1-(isoquinolin-5-yl)-3-(3-phenyl-2-(4-(trifluoromethyl)phenyl)propyl)urea
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| Structure |
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| Formula |
C26H22F3N3O
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| Molecular Weight |
449.476
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(CNC(=O)Nc1cccc2cnccc12)Cc1ccccc1
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| InChI |
InChI=1S/C26H22F3N3O/c27-26(28,29)22-11-9-19(10-12-22)21(15-18-5-2-1-3-6-18)17-31-25(33)32-24-8-4-7-20-16-30-14-13-23(20)24/h1-14,16,21H,15,17H2,(H2,31,32,33)
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| InChIKey |
JNOVEKDKIDETGJ-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