General Information of the Compound
| Compound ID |
CP0435524
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| Compound Name |
1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C19H21ClF3N3O
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| Molecular Weight |
399.844
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| Canonical SMILES |
CN(C)CCC(NC(=O)Nc1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H21ClF3N3O/c1-26(2)12-11-17(13-3-7-15(20)8-4-13)25-18(27)24-16-9-5-14(6-10-16)19(21,22)23/h3-10,17H,11-12H2,1-2H3,(H2,24,25,27)
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| InChIKey |
DCVUYDAQCNKKHX-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